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

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C26H20N2O8 MolecularWeight: 488.4456

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Descriptors Computed from Structure

Canonical SMILES:

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(=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/C26H20N2O8/c1-16(27-26(31)35-14-17-5-3-2-4-6-17)25(30)36-20-11-12-21-23(13-20)34-15-22(24(21)29)18-7-9-19(10-8-18)28(32)33/h2-13,15-16H,14H2,1H3,(H,27,31)