(3R)-2-(4-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-(4-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N2O5/c20-16(11-5-7-14(8-6-11)19(23)24)18-10-13-4-2-1-3-12(13)9-15(18)17(21)22/h1-8,15H,9-10H2,(H,21,22)/t15-/m1/s1