2-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]amino]terephthalic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H17N3O5/c25-19(23-18-10-16(20(26)27)7-8-17(18)21(28)29)9-6-15-11-22-24(13-15)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,25)(H,26,27)(H,28,29)/b9-6+