[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H15ClN2O5/c1-10-3-4-12(7-11(10)2)19-16(21)9-25-17(22)14-6-5-13(20(23)24)8-15(14)18/h3-8H,9H2,1-2H3,(H,19,21)