3-methyl-7-nitro-4-(phenylcarbonyl)-2-propyl-isoquinolin-1-one

Systemtic Name: 3-methyl-7-nitro-4-(phenylcarbonyl)-2-propyl-isoquinolin-1-one Openeye Name: 4-benzoyl-3-methyl-7-nitro-2-propyl-isoquinolin-1-one CAS Name: 4-benzoyl-3-methyl-7-nitro-2-propyl-1-isoquinolinone IUPAC Name: 4-benzoyl-3-methyl-7-nitro-2-propylisoquinolin-1-one Traditional Name: 4-benzoyl-3-methyl-7-nitro-2-propyl-isocarbostyril Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N2O4/c1-3-11-21-13(2)18(19(23)14-7-5-4-6-8-14)16-10-9-15(22(25)26)12-17(16)20(21)24/h4-10,12H,3,11H2,1-2H3