(E)-4-oxidanylidene-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid Formula: C6H6N4O3 MolecularWeight: 182.13684

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=CN1NC(=O)C=CC(=O)O

Isomeric SMILES

C1=NN=CN1NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C6H6N4O3/c11-5(1-2-6(12)13)9-10-3-7-8-4-10/h1-4H,(H,9,11)(H,12,13)/b2-1+