6-(4-bromophenyl)-2-methyl-4-oxidanylidene-1-prop-2-enyl-pyridine-3-carboxylate

Systemtic Name: 6-(4-bromophenyl)-2-methyl-4-oxidanylidene-1-prop-2-enyl-pyridine-3-carboxylate Openeye Name: 1-allyl-6-(4-bromophenyl)-2-methyl-4-oxo-pyridine-3-carboxylate CAS Name: 6-(4-bromophenyl)-2-methyl-4-oxo-1-prop-2-enyl-3-pyridinecarboxylate IUPAC Name: 6-(4-bromophenyl)-2-methyl-4-oxo-1-prop-2-enylpyridine-3-carboxylate Traditional Name: 1-allyl-6-(4-bromophenyl)-4-keto-2-methyl-nicotinate Formula: C16H13BrNO3- MolecularWeight: 347.18332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C(N1CC=C)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C=C(N1CC=C)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H14BrNO3/c1-3-8-18-10(2)15(16(20)21)14(19)9-13(18)11-4-6-12(17)7-5-11/h3-7,9H,1,8H2,2H3,(H,20,21)/p-1