[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5/c1-23-19-12-7-15(13-20(19)27(30)31)22(29)32-14-21(28)24-16-8-10-18(11-9-16)26-25-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3,(H,24,28)