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

Systemtic Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid Formula: C24H18N2O6 MolecularWeight: 430.40952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC3=CC=CC(=C3)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NC3=CC=CC(=C3)C(=O)O)\NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O6/c27-22(16-5-2-1-3-6-16)26-19(11-15-9-10-20-21(12-15)32-14-31-20)23(28)25-18-8-4-7-17(13-18)24(29)30/h1-13H,14H2,(H,25,28)(H,26,27)(H,29,30)/b19-11-