prop-2-enenitrile; prop-1-en-2-ylbenzene

Systemtic Name: prop-2-enenitrile; prop-1-en-2-ylbenzene Openeye Name: isopropenylbenzene; prop-2-enenitrile CAS Name: 1-methylethenylbenzene; 2-propenenitrile IUPAC Name: prop-2-enenitrile; prop-1-en-2-ylbenzene Traditional Name: acrylonitrile; isopropenylbenzene Formula: C12H13N MolecularWeight: 171.23832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1.C=CC#N

Isomeric SMILES

CC(=C)C1=CC=CC=C1.C=CC#N

InChI

InChI=1S/C9H10.C3H3N/c1-8(2)9-6-4-3-5-7-9;1-2-3-4/h3-7H,1H2,2H3;2H,1H2