[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H19N3O5/c1-20-17-7-6-15(22(25)26)10-16(17)19(24)27-12-18(23)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10,20H,8-9,11-12H2,1H3