(E)-4-oxidanylidene-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoate Openeye Name: (E)-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)-2-butenoate IUPAC Name: (E)-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoate Formula: C6H5N4O3- MolecularWeight: 181.1289

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=NNC(=N1)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C6H6N4O3/c11-4(1-2-5(12)13)9-6-7-3-8-10-6/h1-3H,(H,12,13)(H2,7,8,9,10,11)/p-1/b2-1+