(4Z)-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-(phenylhydrazinylidene)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-(phenylhydrazinylidene)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1-oxidopyridin-1-ium-3-carbonyl)-4-(phenylhydrazono)-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-(phenylhydrazinylidene)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1-oxidopyridin-1-ium-3-carbonyl)-4-(phenylhydrazinylidene)-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1-oxidopyridin-1-ium-3-carbonyl)-4-(phenylhydrazono)-5-propyl-2-pyrazolin-3-one Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=NNC2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=N\NC2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H17N5O3/c1-2-7-15-16(20-19-14-9-4-3-5-10-14)18(25)23(21-15)17(24)13-8-6-11-22(26)12-13/h3-6,8-12,19H,2,7H2,1H3/b20-16-