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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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-])N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-5-14-8-6-7-13(2)19(14)21-18(24)12-28-20(25)16-11-15(23(26)27)9-10-17(16)22(3)4/h6-11H,5,12H2,1-4H3,(H,21,24)