6-[4-(2-azanylpropan-2-yl)phenyl]-5-nitro-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]-5-nitro-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-nitro-2H-isoquinolin-1-one CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-nitro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-nitro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-nitro-isocarbostyril Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-18(2,19)12-5-3-11(4-6-12)13-7-8-15-14(16(13)21(23)24)9-10-20-17(15)22/h3-10H,19H2,1-2H3,(H,20,22)