[4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-2-cyano-2-(4-nitrophenyl)vinyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-2-cyano-2-(4-nitrophenyl)vinyl]phenyl] ester Formula: C21H13N3O4 MolecularWeight: 371.34562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4/c22-13-18(16-5-7-19(8-6-16)24(26)27)12-15-3-9-20(10-4-15)28-21(25)17-2-1-11-23-14-17/h1-12,14H/b18-12+