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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (2-anilino-2-keto-ethyl) ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c22-17(20-14-7-2-1-3-8-14)13-26-18(23)11-6-12-19-15-9-4-5-10-16(15)21(24)25/h1-5,7-10,19H,6,11-13H2,(H,20,22)