2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-cyanophenyl)acryloyl]amino]terephthalic acid Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C18H12N2O5/c19-10-12-3-1-11(2-4-12)5-8-16(21)20-15-9-13(17(22)23)6-7-14(15)18(24)25/h1-9H,(H,20,21)(H,22,23)(H,24,25)/b8-5+