ethyl 5-azanyl-1-(3-chloranyl-4-methoxy-phenyl)-4-cyano-3-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(3-chloranyl-4-methoxy-phenyl)-4-cyano-3-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 5-amino-1-(3-chloro-4-methoxy-phenyl)-4-cyano-3-methyl-pyrrole-2-carboxylate CAS Name: 5-amino-1-(3-chloro-4-methoxyphenyl)-4-cyano-3-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(3-chloro-4-methoxyphenyl)-4-cyano-3-methylpyrrole-2-carboxylate Traditional Name: 5-amino-1-(3-chloro-4-methoxy-phenyl)-4-cyano-3-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC(=C(C=C2)OC)Cl)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC(=C(C=C2)OC)Cl)N)C#N)C

InChI

InChI=1S/C16H16ClN3O3/c1-4-23-16(21)14-9(2)11(8-18)15(19)20(14)10-5-6-13(22-3)12(17)7-10/h5-7H,4,19H2,1-3H3