N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)C2=NNC(=O)C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CNC(=O)C2=NNC(=O)C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c18-11(8-1-3-9(4-2-8)17(21)22)7-14-13(20)10-5-6-12(19)16-15-10/h1-6,11,18H,7H2,(H,14,20)(H,16,19)