3-azanyl-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-methyl-4-(4-methylthiazol-2-yl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-methyl-4-(4-methyl-2-thiazolyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-methyl-4-(4-methylthiazol-2-yl)-7-nitro-isocarbostyril Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C)N

Isomeric SMILES

CC1=CSC(=N1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C)N

InChI

InChI=1S/C14H12N4O3S/c1-7-6-22-13(16-7)11-9-4-3-8(18(20)21)5-10(9)14(19)17(2)12(11)15/h3-6H,15H2,1-2H3