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

Systemtic Name: [3-(2,4-dichlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2,4-dichlorophenyl)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(2,4-dichlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,4-dichlorophenyl)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2,4-dichlorophenyl)-4-keto-chromen-7-yl] ester Formula: C23H12Cl2N2O8 MolecularWeight: 515.25598

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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=C(C=C(C=C4)Cl)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=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H12Cl2N2O8/c1-11-19(26(30)31)6-12(7-20(11)27(32)33)23(29)35-14-3-5-16-21(9-14)34-10-17(22(16)28)15-4-2-13(24)8-18(15)25/h2-10H,1H3