[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-14(20(26)23-17-11-10-16(30-2)13-18(17)24(28)29)31-19(25)9-6-12-22-21(27)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,27)(H,23,26)