[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-methyl-3,5-dinitro-benzoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C16H10Cl2N2O7 MolecularWeight: 413.1658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl2N2O7/c1-8-11(5-10(19(23)24)6-14(8)20(25)26)16(22)27-7-15(21)9-2-3-12(17)13(18)4-9/h2-6H,7H2,1H3