N-[(2-carboxy-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]-N-ethyl-benzeneamine oxide

Systemtic Name: N-[(2-carboxy-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]-N-ethyl-benzeneamine oxide Openeye Name: N-(2-carboxy-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-ethyl-benzeneamine oxide CAS Name: N-[(2-carboxy-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-N-ethylbenzeneamine oxide IUPAC Name: N-(2-carboxy-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-ethylbenzeneamine oxide Traditional Name: N-(2-carboxy-3,4-dihydro-1H-isoquinoline-3-carbonyl)-N-ethyl-benzeneamine oxide Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC=CC=C1)(C(=O)C2CC3=CC=CC=C3CN2C(=O)O)[O-]

Isomeric SMILES

CC[N+](C1=CC=CC=C1)(C(=O)C2CC3=CC=CC=C3CN2C(=O)O)[O-]

InChI

InChI=1S/C19H20N2O4/c1-2-21(25,16-10-4-3-5-11-16)18(22)17-12-14-8-6-7-9-15(14)13-20(17)19(23)24/h3-11,17H,2,12-13H2,1H3,(H,23,24)