[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O6/c1-13(20-19(25)14-7-3-2-4-8-14)11-18(24)28-12-17(23)21-15-9-5-6-10-16(15)22(26)27/h2-10,13H,11-12H2,1H3,(H,20,25)(H,21,23)