methyl (2R)-2-(7,8-dimethoxy-2-oxidanylidene-chromen-4-yl)-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (2R)-2-(7,8-dimethoxy-2-oxidanylidene-chromen-4-yl)-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2R)-2-(7,8-dimethoxy-2-oxo-chromen-4-yl)-3-(4-nitrophenyl)propanoate CAS Name: (2R)-2-(7,8-dimethoxy-2-oxo-1-benzopyran-4-yl)-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(7,8-dimethoxy-2-oxochromen-4-yl)-3-(4-nitrophenyl)propanoate Traditional Name: (2R)-2-(2-keto-7,8-dimethoxy-chromen-4-yl)-3-(4-nitrophenyl)propionic acid methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC(=O)O2)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC(=O)O2)[C@@H](CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C21H19NO8/c1-27-17-9-8-14-15(11-18(23)30-19(14)20(17)28-2)16(21(24)29-3)10-12-4-6-13(7-5-12)22(25)26/h4-9,11,16H,10H2,1-3H3/t16-/m1/s1