[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O7/c1-14(2)19(24-22(28)31-13-16-8-5-4-6-9-16)21(27)32-15(3)20(26)23-17-10-7-11-18(12-17)25(29)30/h4-12,14-15,19H,13H2,1-3H3,(H,23,26)(H,24,28)