3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxo-propanenitrile CAS Name: 3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-3-oxopropanenitrile IUPAC Name: 3-(2,5-dimethyl-1-propylpyrrol-3-yl)-3-oxopropanenitrile Traditional Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-keto-propionitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CC#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CC#N)C

InChI

InChI=1S/C12H16N2O/c1-4-7-14-9(2)8-11(10(14)3)12(15)5-6-13/h8H,4-5,7H2,1-3H3