[2-(2-chlorophenyl)-6,8-dimethyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(2-chlorophenyl)-6,8-dimethyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(2-chlorophenyl)-6,8-dimethyl-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(2-chlorophenyl)-4-keto-6,8-dimethyl-chromen-3-yl] ester Formula: C24H16ClNO6 MolecularWeight: 449.83994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

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