ethyl 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxylate CAS Name: 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C(=CN3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C(=CN3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H20N4O4/c1-3-33-25(30)20-13-23(18-10-7-11-19(12-18)29(31)32)28(16(20)2)24-21(14-26)22(15-27-24)17-8-5-4-6-9-17/h4-13,15,27H,3H2,1-2H3