3-(aminomethyl)benzenecarbonitrile; 3-oxidanylidenebutanoic acid

Systemtic Name: 3-(aminomethyl)benzenecarbonitrile; 3-oxidanylidenebutanoic acid Openeye Name: 3-(aminomethyl)benzonitrile; 3-oxobutanoic acid CAS Name: 3-(aminomethyl)benzonitrile; 3-oxobutanoic acid IUPAC Name: 3-(aminomethyl)benzonitrile; 3-oxobutanoic acid Traditional Name: acetoacetic acid; 3-(aminomethyl)benzonitrile Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2.C4H6O3/c9-5-7-2-1-3-8(4-7)6-10;1-3(5)2-4(6)7/h1-4H,5,9H2;2H2,1H3,(H,6,7)