[5,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [5,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5,7-dimethyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-keto-5,7-dimethyl-2-(p-tolyl)chromen-3-yl] ester Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO6/c1-14-4-6-17(7-5-14)23-24(22(27)21-16(3)12-15(2)13-20(21)31-23)32-25(28)18-8-10-19(11-9-18)26(29)30/h4-13H,1-3H3