1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine

C16H15N3O7 — CID 2832989

IUPAC1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O7/c1-24-11-4-5-12(14(7-11)19(22)23)17-9-10-6-15(25-2)16(26-3)8-13(10)18(20)21/h4-9H,1-3H3/b17-9+
InChIKeyUZOWEGSVBBMCQA-RQZCQDPDSA-N
MW361.31 g/mol
LogP3.28
Rot. Bonds7

About 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine

1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine (PubChem CID 2832989) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine
PubChem CID2832989
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O7/c1-24-11-4-5-12(14(7-11)19(22)23)17-9-10-6-15(25-2)16(26-3)8-13(10)18(20)21/h4-9H,1-3H3/b17-9+
InChIKeyUZOWEGSVBBMCQA-RQZCQDPDSA-N
XLogP3.28
TPSA126.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine?
The IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine (CID 2832989) is 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine?
The canonical SMILES for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine is COc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine?
The InChIKey is UZOWEGSVBBMCQA-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-24-11-4-5-12(14(7-11)19(22)23)17-9-10-6-15(25-2)16(26-3)8-13(10)18(20)21/h4-9H,1-3H3/b17-9+.
What are the key properties of 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine?
1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine has a molecular weight of 361.31 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)methanimine is sourced from PubChem (CID 2832989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).