[2-(methylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C10H10N2O5 MolecularWeight: 238.1968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5/c1-11-9(13)6-17-10(14)7-3-2-4-8(5-7)12(15)16/h2-5H,6H2,1H3,(H,11,13)