4-methyl-4-(2-methylpropyl)-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 4-methyl-4-(2-methylpropyl)-7-nitro-isoquinoline-1,3-dione Openeye Name: 4-isobutyl-4-methyl-7-nitro-isoquinoline-1,3-dione CAS Name: 4-methyl-4-(2-methylpropyl)-7-nitroisoquinoline-1,3-dione IUPAC Name: 4-methyl-4-(2-methylpropyl)-7-nitroisoquinoline-1,3-dione Traditional Name: 4-isobutyl-4-methyl-7-nitro-isoquinoline-1,3-quinone Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)C

Isomeric SMILES

CC(C)CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)C

InChI

InChI=1S/C14H16N2O4/c1-8(2)7-14(3)11-5-4-9(16(19)20)6-10(11)12(17)15-13(14)18/h4-6,8H,7H2,1-3H3,(H,15,17,18)