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

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

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O8/c29-24(12-13-27-26(31)35-15-17-4-2-1-3-5-17)36-20-10-11-21-23(14-20)34-16-22(25(21)30)18-6-8-19(9-7-18)28(32)33/h1-11,14,16H,12-13,15H2,(H,27,31)