[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5/c24-19(22-17-6-1-2-7-18(17)23(26)27)12-28-21(25)16-11-10-14-9-8-13-4-3-5-15(16)20(13)14/h1-7,10-11H,8-9,12H2,(H,22,24)