[3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(4-chlorophenyl)-4-keto-chromen-7-yl] ester Formula: C23H13ClN2O8 MolecularWeight: 480.81092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

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