methyl 2-(4-nitrophenyl)sulfonyl-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylate

Systemtic Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylate Openeye Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxo-1,4-dihydroisoquinoline-1-carboxylate CAS Name: 2-(4-nitrophenyl)sulfonyl-3-oxo-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxo-1,4-dihydroisoquinoline-1-carboxylate Traditional Name: 3-keto-2-nosyl-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester Formula: C17H14N2O7S MolecularWeight: 390.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2CC(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2CC(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c1-26-17(21)16-14-5-3-2-4-11(14)10-15(20)18(16)27(24,25)13-8-6-12(7-9-13)19(22)23/h2-9,16H,10H2,1H3