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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5/c20-10-12-2-1-3-15(8-12)22-18(24)11-28-19(25)13-4-7-16(21-14-5-6-14)17(9-13)23(26)27/h1-4,7-9,14,21H,5-6,11H2,(H,22,24)