3-azanyl-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-4-(3H-1,3-benzothiazol-2-ylidene)-7-nitro-isocarbostyril Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N=C3N)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N=C3N)S2

InChI

InChI=1S/C16H10N4O3S/c17-14-13(16-18-11-3-1-2-4-12(11)24-16)9-6-5-8(20(22)23)7-10(9)15(21)19-14/h1-7,18H,(H2,17,19,21)