[6-chloranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [6-chloranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [6-chloro-7-methyl-4-oxo-2-(p-tolyl)chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-chloro-7-methyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-chloro-4-keto-7-methyl-2-(p-tolyl)chromen-3-yl] ester Formula: C24H16ClNO6 MolecularWeight: 449.83994

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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)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H16ClNO6/c1-13-3-5-15(6-4-13)22-23(21(27)18-12-19(25)14(2)11-20(18)31-22)32-24(28)16-7-9-17(10-8-16)26(29)30/h3-12H,1-2H3