[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O6/c25-22(29)13-14-27(19-9-5-2-6-10-19)23(30)16-34-24(31)17-11-12-20(21(15-17)28(32)33)26-18-7-3-1-4-8-18/h1-12,15,26H,13-14,16H2,(H2,25,29)