3-(2-methylphenyl)-7-nitro-3,4-dihydroisochromen-1-one

Systemtic Name: 3-(2-methylphenyl)-7-nitro-3,4-dihydroisochromen-1-one Openeye Name: 7-nitro-3-(o-tolyl)isochroman-1-one CAS Name: 3-(2-methylphenyl)-7-nitro-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(2-methylphenyl)-7-nitro-3,4-dihydroisochromen-1-one Traditional Name: 7-nitro-3-(o-tolyl)isochroman-1-one Formula: C16H13NO4 MolecularWeight: 283.27872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=CC=CC=C1C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H13NO4/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(17(19)20)9-14(11)16(18)21-15/h2-7,9,15H,8H2,1H3