(E)-2-(4-methylphenyl)carbonyl-3-(pyridin-2-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)carbonyl-3-(pyridin-2-ylamino)prop-2-enenitrile Openeye Name: (E)-2-(4-methylbenzoyl)-3-(2-pyridylamino)prop-2-enenitrile CAS Name: (E)-2-[(4-methylphenyl)-oxomethyl]-3-(2-pyridinylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-methylbenzoyl)-3-(pyridin-2-ylamino)prop-2-enenitrile Traditional Name: (E)-2-p-toluoyl-3-(2-pyridylamino)acrylonitrile Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=CNC2=CC=CC=N2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C/NC2=CC=CC=N2)/C#N

InChI

InChI=1S/C16H13N3O/c1-12-5-7-13(8-6-12)16(20)14(10-17)11-19-15-4-2-3-9-18-15/h2-9,11H,1H3,(H,18,19)/b14-11+