(E)-3-[3-(1H-1,2,4-triazol-5-ylcarbonylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1H-1,2,4-triazol-5-ylcarbonylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1H-1,2,4-triazole-5-carbonylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[oxo(1H-1,2,4-triazol-5-yl)methyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1H-1,2,4-triazole-5-carbonylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1H-1,2,4-triazole-5-carbonylamino)phenyl]acrylic acid Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NC=NN2)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NC=NN2)/C=C/C(=O)O

InChI

InChI=1S/C12H10N4O3/c17-10(18)5-4-8-2-1-3-9(6-8)15-12(19)11-13-7-14-16-11/h1-7H,(H,15,19)(H,17,18)(H,13,14,16)/b5-4+