[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H18N2O5/c1-12(18(22)20-16-6-3-7-17(11-16)21(24)25)26-19(23)15-9-8-13-4-2-5-14(13)10-15/h3,6-12H,2,4-5H2,1H3,(H,20,22)