(E)-3-[4-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]amino]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[6-(3-bromophenyl)-2-methyl-nicotinoyl]amino]phenyl]acrylate Formula: C22H16BrN2O3- MolecularWeight: 436.27804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)C=CC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)/C=C/C(=O)[O-]

InChI

InChI=1S/C22H17BrN2O3/c1-14-19(10-11-20(24-14)16-3-2-4-17(23)13-16)22(28)25-18-8-5-15(6-9-18)7-12-21(26)27/h2-13H,1H3,(H,25,28)(H,26,27)/p-1/b12-7+