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

Systemtic Name: 2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(o-tolyl)acryloyl]amino]terephthalic acid Formula: C18H15NO5 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO5/c1-11-4-2-3-5-12(11)7-9-16(20)19-15-10-13(17(21)22)6-8-14(15)18(23)24/h2-10H,1H3,(H,19,20)(H,21,22)(H,23,24)/b9-7+