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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-5-chloranyl-benzoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-5-chloro-benzoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-5-chlorobenzoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-5-chloro-benzoic acid Formula: C17H13BrClNO4 MolecularWeight: 410.64642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClNO4/c1-24-15-6-3-11(18)8-10(15)2-7-16(21)20-14-5-4-12(19)9-13(14)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b7-2+