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

Systemtic Name: 5-[[[(E)-3-(4-bromanyl-3-chloranyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(4-bromo-3-chloro-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(4-bromo-3-chlorophenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(4-bromo-3-chlorophenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(4-bromo-3-chloro-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H15BrClNO4 MolecularWeight: 424.673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C18H15BrClNO4/c1-25-16-6-3-12(8-13(16)18(23)24)10-21-17(22)7-4-11-2-5-14(19)15(20)9-11/h2-9H,10H2,1H3,(H,21,22)(H,23,24)/b7-4+