[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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