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

Systemtic Name: 3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(m-tolyl)acryloyl]amino]benzoic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3/c1-12-4-2-5-13(10-12)8-9-16(19)18-15-7-3-6-14(11-15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b9-8+