[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate

C19H18N2O6 — CID 1366716

IUPAC[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)ON=C1CCCc2c1ccc(OC)c2[N+](=O)[O-]
InChIInChI=1S/C19H18N2O6/c1-25-16-9-4-3-6-14(16)19(22)27-20-15-8-5-7-13-12(15)10-11-17(26-2)18(13)21(23)24/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyFEZNMZZCAVNZQH-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.51
Rot. Bonds5

About [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate

[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate (PubChem CID 1366716) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate.

Molecular Properties

Compound Name[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
PubChem CID1366716
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)ON=C1CCCc2c1ccc(OC)c2[N+](=O)[O-]
InChIInChI=1S/C19H18N2O6/c1-25-16-9-4-3-6-14(16)19(22)27-20-15-8-5-7-13-12(15)10-11-17(26-2)18(13)21(23)24/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyFEZNMZZCAVNZQH-UHFFFAOYSA-N
XLogP3.51
TPSA100.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] benzoate
CID 689993
[(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate
CID 6523248
2-methoxy-1-nitro-9H-fluorene
CID 159208657
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392
ethane;methyl 2-methoxybenzoate
CID 178037044
[(E)-2,3-dihydrothiochromen-4-ylideneamino] 3,4,5-trimethoxybenzoate
CID 6017615
[(Z)-2,3-dihydrothiochromen-4-ylideneamino] 3,4,5-trimethoxybenzoate
CID 6522386
[(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-methoxybenzoate
CID 776169
[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-iodobenzoate
CID 135598854
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-methoxybenzoate
CID 135525918
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938

Frequently Asked Questions

What is the IUPAC name of [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The IUPAC name of [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate (CID 1366716) is [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate.
What is the SMILES notation for [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The canonical SMILES for [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate is COc1ccccc1C(=O)ON=C1CCCc2c1ccc(OC)c2[N+](=O)[O-].
What is the InChIKey of [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The InChIKey is FEZNMZZCAVNZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-16-9-4-3-6-14(16)19(22)27-20-15-8-5-7-13-12(15)10-11-17(26-2)18(13)21(23)24/h3-4,6,9-11H,5,7-8H2,1-2H3.
What are the key properties of [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate has a molecular weight of 370.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate is sourced from PubChem (CID 1366716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).