N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)ethanamide

Systemtic Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)ethanamide Openeye Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide CAS Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide IUPAC Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide Traditional Name: 2-(5-keto-3-pyrazolin-3-yl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC1=CC(=O)NN1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CC1=CC(=O)NN1)/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4/c1-8(9-3-2-4-11(5-9)18(21)22)14-16-12(19)6-10-7-13(20)17-15-10/h2-5,7H,6H2,1H3,(H,16,19)(H2,15,17,20)/b14-8+