[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N2O5/c1-19-13-5-2-9(6-14(13)20(23)24)16(22)25-8-15(21)11-4-3-10(17)7-12(11)18/h2-7,19H,8H2,1H3