[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate

C17H15N3O7 — CID 7702979

IUPAC[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H15N3O7/c1-26-14-4-2-3-12(9-14)17(23)27-10-15(21)18-19-16(22)11-5-7-13(8-6-11)20(24)25/h2-9H,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyIQQARNHTMPWOPU-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.22
Rot. Bonds6

About [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate (PubChem CID 7702979) has the molecular formula C17H15N3O7 and a molecular weight of 373.32 g/mol. Its IUPAC name is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
PubChem CID7702979
Molecular FormulaC17H15N3O7
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H15N3O7/c1-26-14-4-2-3-12(9-14)17(23)27-10-15(21)18-19-16(22)11-5-7-13(8-6-11)20(24)25/h2-9H,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyIQQARNHTMPWOPU-UHFFFAOYSA-N
XLogP1.22
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
2-methoxyethyl 3-(4-nitrobenzoyl)oxybenzoate
CID 17170803
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648458
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139373
[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 4856781
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-methoxybenzoate
CID 7985964
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663405

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate?
The IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate (CID 7702979) is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate?
The canonical SMILES for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate?
The InChIKey is IQQARNHTMPWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O7/c1-26-14-4-2-3-12(9-14)17(23)27-10-15(21)18-19-16(22)11-5-7-13(8-6-11)20(24)25/h2-9H,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate?
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate has a molecular weight of 373.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate is sourced from PubChem (CID 7702979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).