methyl 3-azanyl-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: methyl 3-amino-1-benzyl-4-cyano-pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-1-(phenylmethyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-benzyl-4-cyanopyrrole-2-carboxylate Traditional Name: 3-amino-1-benzyl-4-cyano-pyrrole-2-carboxylic acid methyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C#N)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C14H13N3O2/c1-19-14(18)13-12(16)11(7-15)9-17(13)8-10-5-3-2-4-6-10/h2-6,9H,8,16H2,1H3