[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5/c19-13-5-3-6-14(11-13)21-17(23)12-27-18(24)9-4-10-20-15-7-1-2-8-16(15)22(25)26/h1-3,5-8,11,20H,4,9-10,12H2,(H,21,23)