(E)-3-[5-(benzotriazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(benzotriazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(benzotriazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(1-benzotriazolyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(benzotriazol-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(benzotriazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C14H13N5O2/c1-9-10(7-8-13(20)21)14(18(2)16-9)19-12-6-4-3-5-11(12)15-17-19/h3-8H,1-2H3,(H,20,21)/b8-7+