[3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-methyl-valeric acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C29H26N2O8 MolecularWeight: 530.52534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26N2O8/c1-18(2)14-25(30-29(34)38-16-19-6-4-3-5-7-19)28(33)39-22-12-13-23-26(15-22)37-17-24(27(23)32)20-8-10-21(11-9-20)31(35)36/h3-13,15,17-18,25H,14,16H2,1-2H3,(H,30,34)