[6-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [6-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [6-methyl-4-oxo-2-(p-tolyl)chromen-3-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [6-methyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-keto-6-methyl-2-(p-tolyl)chromen-3-yl] ester Formula: C25H18N2O8 MolecularWeight: 474.41902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)C)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)C)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O8/c1-13-4-7-16(8-5-13)23-24(22(28)18-10-14(2)6-9-21(18)34-23)35-25(29)17-11-19(26(30)31)15(3)20(12-17)27(32)33/h4-12H,1-3H3