[3-(2-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(2-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-chlorophenyl)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(2-chlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenyl)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2-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=CC=C4Cl)[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=CC=C4Cl)[N+](=O)[O-]

InChI

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