[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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