N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide Openeye Name: 4-hydroxy-N-(5-nitrothiazol-2-yl)-1-phenyl-isoquinoline-3-carboxamide CAS Name: 4-hydroxy-N-(5-nitro-2-thiazolyl)-1-phenyl-3-isoquinolinecarboxamide IUPAC Name: 4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylisoquinoline-3-carboxamide Traditional Name: 4-hydroxy-N-(5-nitrothiazol-2-yl)-1-phenyl-isoquinoline-3-carboxamide Formula: C19H12N4O4S MolecularWeight: 392.38798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O4S/c24-17-13-9-5-4-8-12(13)15(11-6-2-1-3-7-11)21-16(17)18(25)22-19-20-10-14(28-19)23(26)27/h1-10,24H,(H,20,22,25)