methyl 4-[cyano(methylamino)methyl]benzoate

Systemtic Name: methyl 4-[cyano(methylamino)methyl]benzoate Openeye Name: methyl 4-[cyano(methylamino)methyl]benzoate CAS Name: 4-[cyano(methylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[cyano(methylamino)methyl]benzoate Traditional Name: 4-[cyano(methylamino)methyl]benzoic acid methyl ester Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C#N)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CNC(C#N)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C11H12N2O2/c1-13-10(7-12)8-3-5-9(6-4-8)11(14)15-2/h3-6,10,13H,1-2H3