3-azanylbenzenecarbonitrile; 2-methylbutanoic acid

Systemtic Name: 3-azanylbenzenecarbonitrile; 2-methylbutanoic acid Openeye Name: 3-aminobenzonitrile; 2-methylbutanoic acid CAS Name: 3-aminobenzonitrile; 2-methylbutanoic acid IUPAC Name: 3-aminobenzonitrile; 2-methylbutanoic acid Traditional Name: 3-aminobenzonitrile; 2-methylbutyric acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2.C5H10O2/c8-5-6-2-1-3-7(9)4-6;1-3-4(2)5(6)7/h1-4H,9H2;4H,3H2,1-2H3,(H,6,7)