2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4,5-dimethoxy-benzoic acid Formula: C19H18BrNO6 MolecularWeight: 436.25332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C19H18BrNO6/c1-25-15-6-5-12(20)8-11(15)4-7-18(22)21-14-10-17(27-3)16(26-2)9-13(14)19(23)24/h4-10H,1-3H3,(H,21,22)(H,23,24)/b7-4+