3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isocarbostyril Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C23H16N4O4S/c1-31-15-9-6-13(7-10-15)20-16-11-8-14(27(29)30)12-17(16)22(28)26(21(20)24)23-25-18-4-2-3-5-19(18)32-23/h2-12H,24H2,1H3