[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H17ClN2O5/c1-3-12-6-4-5-11(2)17(12)20-16(22)10-26-18(23)14-9-13(21(24)25)7-8-15(14)19/h4-9H,3,10H2,1-2H3,(H,20,22)