N-(3-nitropyridin-2-yl)-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-(3-nitropyridin-2-yl)-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide Openeye Name: 4-hydroxy-N-(3-nitro-2-pyridyl)-1-phenyl-isoquinoline-3-carboxamide CAS Name: 4-hydroxy-N-(3-nitro-2-pyridinyl)-1-phenyl-3-isoquinolinecarboxamide IUPAC Name: 4-hydroxy-N-(3-nitropyridin-2-yl)-1-phenylisoquinoline-3-carboxamide Traditional Name: 4-hydroxy-N-(3-nitro-2-pyridyl)-1-phenyl-isoquinoline-3-carboxamide Formula: C21H14N4O4 MolecularWeight: 386.36026

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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=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4/c26-19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)23-18(19)21(27)24-20-16(25(28)29)11-6-12-22-20/h1-12,26H,(H,22,24,27)