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

Systemtic Name: [2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [2-methyl-3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [4-keto-2-methyl-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C30H28N2O8 MolecularWeight: 544.55192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O8/c1-4-18(2)27(31-30(35)38-17-20-8-6-5-7-9-20)29(34)40-23-14-15-24-25(16-23)39-19(3)26(28(24)33)21-10-12-22(13-11-21)32(36)37/h5-16,18,27H,4,17H2,1-3H3,(H,31,35)