[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C18H18N2O8 MolecularWeight: 390.34412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8/c1-25-14-8-11(9-15(26-2)17(14)27-3)19-16(21)10-28-18(22)12-6-4-5-7-13(12)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)