3-[[(Z)-2-benzamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(Z)-2-benzamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[(Z)-2-benzamido-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[(Z)-2-benzamido-3-(6-bromo-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(Z)-2-benzamido-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[(Z)-2-benzamido-3-(6-bromo-1,3-benzodioxol-5-yl)acryloyl]amino]-4-methoxy-benzoic acid Formula: C25H19BrN2O7 MolecularWeight: 539.33156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O7/c1-33-20-8-7-15(25(31)32)9-18(20)27-24(30)19(28-23(29)14-5-3-2-4-6-14)10-16-11-21-22(12-17(16)26)35-13-34-21/h2-12H,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)/b19-10-