[1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(2,3-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5/c1-10-5-4-6-16(11(10)2)20-17(22)12(3)26-18(23)14-9-13(21(24)25)7-8-15(14)19/h4-9,12H,1-3H3,(H,20,22)