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

Systemtic Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]terephthalic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H15N3O5/c24-18(22-17-10-14(19(25)26)7-8-16(17)20(27)28)9-6-13-11-21-23(12-13)15-4-2-1-3-5-15/h1-12H,(H,22,24)(H,25,26)(H,27,28)/b9-6+