(E)-4-oxidanylidene-4-pyrazol-1-yl-but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-pyrazol-1-yl-but-2-enoic acid Openeye Name: (E)-4-oxo-4-pyrazol-1-yl-but-2-enoic acid CAS Name: (E)-4-oxo-4-(1-pyrazolyl)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-pyrazol-1-ylbut-2-enoic acid Traditional Name: (E)-4-keto-4-pyrazol-1-yl-but-2-enoic acid Formula: C7H6N2O3 MolecularWeight: 166.13414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CN(N=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C7H6N2O3/c10-6(2-3-7(11)12)9-5-1-4-8-9/h1-5H,(H,11,12)/b3-2+