2-[(E)-2-phenylethenyl]pyrimidine; pyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-2-phenylethenyl]pyrimidine; pyridine-3-carboxylic acid Openeye Name: nicotinic acid; 2-[(E)-styryl]pyrimidine CAS Name: 2-[(E)-2-phenylethenyl]pyrimidine; 3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-2-phenylethenyl]pyrimidine; pyridine-3-carboxylic acid Traditional Name: nicotinic acid; 2-[(E)-styryl]pyrimidine Formula: C18H15N3O2 MolecularWeight: 305.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC=CC=N2.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC=CC=N2.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C12H10N2.C6H5NO2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12;8-6(9)5-2-1-3-7-4-5/h1-10H;1-4H,(H,8,9)/b8-7+;