4-[2-(5-ethanoylimino-1-methyl-3-oxidanylidene-pyrazolidin-4-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-[2-(5-ethanoylimino-1-methyl-3-oxidanylidene-pyrazolidin-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-[2-(5-acetylimino-1-methyl-3-oxo-pyrazolidin-4-ylidene)hydrazino]benzoic acid CAS Name: 4-[2-(5-acetylimino-1-methyl-3-oxo-4-pyrazolidinylidene)hydrazinyl]benzoic acid IUPAC Name: 4-[2-(5-acetylimino-1-methyl-3-oxopyrazolidin-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-[N'-(5-acetylimino-3-keto-1-methyl-pyrazolidin-4-ylidene)hydrazino]benzoic acid Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C(=NNC2=CC=C(C=C2)C(=O)O)C(=O)NN1C

Isomeric SMILES

CC(=O)N=C1C(=NNC2=CC=C(C=C2)C(=O)O)C(=O)NN1C

InChI

InChI=1S/C13H13N5O4/c1-7(19)14-11-10(12(20)17-18(11)2)16-15-9-5-3-8(4-6-9)13(21)22/h3-6,15H,1-2H3,(H,17,20)(H,21,22)