3-[methyl(phenyl)amino]propanenitrile; 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione

Systemtic Name: 3-[methyl(phenyl)amino]propanenitrile; 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione Openeye Name: 3-(N-methylanilino)propanenitrile; 1,7,7-trimethylnorbornane-2,3-dione CAS Name: 3-(N-methylanilino)propanenitrile; 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione IUPAC Name: 3-(N-methylanilino)propanenitrile; 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione Traditional Name: 3-(N-methylanilino)propionitrile; 1,7,7-trimethylnorbornane-2,3-quinone Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2=O)C)C.CN(CCC#N)C1=CC=CC=C1

Isomeric SMILES

CC1(C2CCC1(C(=O)C2=O)C)C.CN(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C10H12N2.C10H14O2/c1-12(9-5-8-11)10-6-3-2-4-7-10;1-9(2)6-4-5-10(9,3)8(12)7(6)11/h2-4,6-7H,5,9H2,1H3;6H,4-5H2,1-3H3