(E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-keto-but-2-enoic acid Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NN1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=NC(=NN1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H18N4O3/c1-2-3-4-5-6-9-13-12(16-15-9)14-10(17)7-8-11(18)19/h7-8H,2-6H2,1H3,(H,18,19)(H2,13,14,15,16,17)/b8-7+