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

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C16H11Cl2N3O7 MolecularWeight: 428.18044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11Cl2N3O7/c1-8-13(20(24)25)4-9(5-14(8)21(26)27)16(23)28-7-15(22)19-10-2-3-11(17)12(18)6-10/h2-6H,7H2,1H3,(H,19,22)