ethyl 4-[(Z)-(4-cyano-2-ethanoyl-pyrazol-3-yl)iminomethyl]-5-methyl-1-phenyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(Z)-(4-cyano-2-ethanoyl-pyrazol-3-yl)iminomethyl]-5-methyl-1-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(Z)-(2-acetyl-4-cyano-pyrazol-3-yl)iminomethyl]-5-methyl-1-phenyl-pyrrole-2-carboxylate CAS Name: 4-[(Z)-(2-acetyl-4-cyano-3-pyrazolyl)iminomethyl]-5-methyl-1-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-(2-acetyl-4-cyanopyrazol-3-yl)iminomethyl]-5-methyl-1-phenylpyrrole-2-carboxylate Traditional Name: 4-[(Z)-(2-acetyl-4-cyano-pyrazol-3-yl)iminomethyl]-5-methyl-1-phenyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1C2=CC=CC=C2)C)C=NC3=C(C=NN3C(=O)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1C2=CC=CC=C2)C)/C=N\C3=C(C=NN3C(=O)C)C#N

InChI

InChI=1S/C21H19N5O3/c1-4-29-21(28)19-10-16(14(2)25(19)18-8-6-5-7-9-18)12-23-20-17(11-22)13-24-26(20)15(3)27/h5-10,12-13H,4H2,1-3H3/b23-12-