4-[(E)-3-(azetidin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(azetidin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(azetidin-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(1-azetidinyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(azetidin-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(azetidin-1-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C1)C(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H12N2O/c14-10-12-4-2-11(3-5-12)6-7-13(16)15-8-1-9-15/h2-7H,1,8-9H2/b7-6+