[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H12N4O5 MolecularWeight: 340.29028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N4O5/c17-8-10-2-1-3-12(6-10)19-15(21)9-25-16(22)11-4-5-13(18)14(7-11)20(23)24/h1-7H,9,18H2,(H,19,21)