[6,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate

Systemtic Name: [6,7-dimethyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate Openeye Name: [6,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [6,7-dimethyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-keto-6,7-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=CC(=C(C=C3O2)C)C)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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