copper; 2-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoic acid; hydrate

Systemtic Name: copper; 2-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoic acid; hydrate Openeye Name: copper; 2-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzoic acid; hydrate CAS Name: copper; 2-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzoic acid; hydrate IUPAC Name: copper; 2-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzoic acid; hydrate Traditional Name: copper; 2-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid; hydrate Formula: C17H16CuN4O4 MolecularWeight: 403.87934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)O)C3=CC=CC=C3.O.[Cu]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3.O.[Cu]

InChI

InChI=1S/C17H14N4O3.Cu.H2O/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;;/h2-10,18H,1H3,(H,23,24);;1H2/b19-15+;;