[4-[(Z)-3-oxidanylidenebut-1-enyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(Z)-3-oxidanylidenebut-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-3-oxobut-1-enyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(Z)-3-oxobut-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-3-oxobut-1-enyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-3-ketobut-1-enyl]phenyl] ester Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)/C=C\C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H13NO3/c1-12(18)4-5-13-6-8-15(9-7-13)20-16(19)14-3-2-10-17-11-14/h2-11H,1H3/b5-4-