ethyl 3-azanyl-1-[4-(3-azanyl-4-cyano-2-ethoxycarbonyl-pyrrol-1-yl)phenyl]-4-cyano-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-1-[4-(3-azanyl-4-cyano-2-ethoxycarbonyl-pyrrol-1-yl)phenyl]-4-cyano-pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-1-[4-(3-amino-4-cyano-2-ethoxycarbonyl-pyrrol-1-yl)phenyl]-4-cyano-pyrrole-2-carboxylate CAS Name: 3-amino-1-[4-(3-amino-4-cyano-2-ethoxycarbonyl-1-pyrrolyl)phenyl]-4-cyano-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-[4-(3-amino-4-cyano-2-ethoxycarbonylpyrrol-1-yl)phenyl]-4-cyanopyrrole-2-carboxylate Traditional Name: 3-amino-1-[4-(3-amino-2-carbethoxy-4-cyano-pyrrol-1-yl)phenyl]-4-cyano-pyrrole-2-carboxylic acid ethyl ester Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C2=CC=C(C=C2)N3C=C(C(=C3C(=O)OCC)N)C#N)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C2=CC=C(C=C2)N3C=C(C(=C3C(=O)OCC)N)C#N)C#N)N

InChI

InChI=1S/C22H20N6O4/c1-3-31-21(29)19-17(25)13(9-23)11-27(19)15-5-7-16(8-6-15)28-12-14(10-24)18(26)20(28)22(30)32-4-2/h5-8,11-12H,3-4,25-26H2,1-2H3