5-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]isophthalic acid Formula: C18H14BrNO6 MolecularWeight: 420.21086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14BrNO6/c1-26-15-4-3-13(19)7-10(15)2-5-16(21)20-14-8-11(17(22)23)6-12(9-14)18(24)25/h2-9H,1H3,(H,20,21)(H,22,23)(H,24,25)/b5-2+