[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C24H16BrNO8 MolecularWeight: 526.28974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C24H16BrNO8/c1-31-19-12-14(11-17(25)22(19)32-2)21-23(20(27)16-5-3-4-6-18(16)33-21)34-24(28)13-7-9-15(10-8-13)26(29)30/h3-12H,1-2H3