[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13(21-20(26)15-7-4-3-5-8-15)11-18(24)29-14(2)19(25)22-16-9-6-10-17(12-16)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,21,26)(H,22,25)