[2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3,5-dinitrobenzoate Openeye Name: [2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-chlorophenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(4-chlorophenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C23H13ClN2O8 MolecularWeight: 480.81092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H13ClN2O8/c1-12-2-7-19-18(8-12)20(27)22(21(33-19)13-3-5-15(24)6-4-13)34-23(28)14-9-16(25(29)30)11-17(10-14)26(31)32/h2-11H,1H3