2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid Formula: C17H13NO5 MolecularWeight: 311.28882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,18,19)(H,20,21)/b8-6+