3-[4-(2-methylphenyl)phenyl]-7-nitro-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(2-methylphenyl)phenyl]-7-nitro-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-nitro-3-[4-(o-tolyl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 3-[4-(2-methylphenyl)phenyl]-7-nitro-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 3-[4-(2-methylphenyl)phenyl]-7-nitro-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-nitro-3-[4-(o-tolyl)phenyl]-3,4-dihydroisocarbostyril Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)C3CC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3CC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3

InChI

InChI=1S/C22H18N2O3/c1-14-4-2-3-5-19(14)15-6-8-16(9-7-15)21-12-17-10-11-18(24(26)27)13-20(17)22(25)23-21/h2-11,13,21H,12H2,1H3,(H,23,25)