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

Systemtic Name: [2-methyl-3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic 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-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid [4-keto-2-methyl-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C27H22N2O8 MolecularWeight: 502.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O8/c1-17-25(19-7-9-20(10-8-19)29(33)34)26(31)22-12-11-21(15-23(22)36-17)37-24(30)13-14-28-27(32)35-16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,28,32)