ethyl 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)-1-oxopenta-2,4-dienyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(2E,4E)-2-cyano-5-(2-nitrophenyl)penta-2,4-dienoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC=CC2=CC=CC=C2[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N)C)C

InChI

InChI=1S/C21H19N3O5/c1-4-29-21(26)19-14(3)23-13(2)18(19)20(25)16(12-22)10-7-9-15-8-5-6-11-17(15)24(27)28/h5-11,23H,4H2,1-3H3/b9-7+,16-10+