ethanoic acid; 3-(3-methylbut-2-enylamino)benzenecarbonitrile

Systemtic Name: ethanoic acid; 3-(3-methylbut-2-enylamino)benzenecarbonitrile Openeye Name: acetic acid; 3-(3-methylbut-2-enylamino)benzonitrile CAS Name: acetic acid; 3-(3-methylbut-2-enylamino)benzonitrile IUPAC Name: acetic acid; 3-(3-methylbut-2-enylamino)benzonitrile Traditional Name: acetic acid; 3-(3-methylbut-2-enylamino)benzonitrile Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=CC=CC(=C1)C#N)C.CC(=O)O

Isomeric SMILES

CC(=CCNC1=CC=CC(=C1)C#N)C.CC(=O)O

InChI

InChI=1S/C12H14N2.C2H4O2/c1-10(2)6-7-14-12-5-3-4-11(8-12)9-13;1-2(3)4/h3-6,8,14H,7H2,1-2H3;1H3,(H,3,4)