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

Systemtic Name: 7-nitro-3-(4-propan-2-ylphenyl)-3,4-dihydroisochromen-1-one Openeye Name: 3-(4-isopropylphenyl)-7-nitro-isochroman-1-one CAS Name: 7-nitro-3-(4-propan-2-ylphenyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 7-nitro-3-(4-propan-2-ylphenyl)-3,4-dihydroisochromen-1-one Traditional Name: 7-nitro-3-p-cumenyl-isochroman-1-one Formula: C18H17NO4 MolecularWeight: 311.33188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C18H17NO4/c1-11(2)12-3-5-13(6-4-12)17-9-14-7-8-15(19(21)22)10-16(14)18(20)23-17/h3-8,10-11,17H,9H2,1-2H3