ethyl 3-azanyl-4-cyano-1-[(3-methylphenyl)methyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-cyano-1-[(3-methylphenyl)methyl]pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-cyano-1-(m-tolylmethyl)pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-1-[(3-methylphenyl)methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-cyano-1-[(3-methylphenyl)methyl]pyrrole-2-carboxylate Traditional Name: 3-amino-4-cyano-1-(3-methylbenzyl)pyrrole-2-carboxylic acid ethyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/c1-3-21-16(20)15-14(18)13(8-17)10-19(15)9-12-6-4-5-11(2)7-12/h4-7,10H,3,9,18H2,1-2H3