(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-bromophenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]acrylic acid Formula: C17H12BrNO5 MolecularWeight: 390.18488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H12BrNO5/c18-12-4-2-1-3-11(12)16(20)19-13(17(21)22)7-10-5-6-14-15(8-10)24-9-23-14/h1-8H,9H2,(H,19,20)(H,21,22)/b13-7+