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

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H16BrNO4/c1-11-9-13(18(22)23)3-6-15(11)20-17(21)8-4-12-10-14(19)5-7-16(12)24-2/h3-10H,1-2H3,(H,20,21)(H,22,23)/b8-4+