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

Systemtic Name: (E)-4-oxidanylidene-4-(1,2,4-triazol-4-ylamino)but-2-enoate Openeye Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)-2-butenoate IUPAC Name: (E)-4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(1,2,4-triazol-4-ylamino)but-2-enoate Formula: C6H5N4O3- MolecularWeight: 181.1289

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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)/p-1/b2-1+