[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-5-15-8-6-7-12(2)18(15)21-19(23)14(4)27-20(24)16-9-10-17(22(25)26)13(3)11-16/h6-11,14H,5H2,1-4H3,(H,21,23)