(2E,4E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-5-(2-nitrophenyl)penta-2,4-dienenitrile

Systemtic Name: (2E,4E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-5-(2-nitrophenyl)penta-2,4-dienenitrile Openeye Name: (2E,4E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile CAS Name: (2E,4E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-5-(2-nitrophenyl)penta-2,4-dienenitrile IUPAC Name: (2E,4E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile Traditional Name: (2E,4E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC=CC2=CC=CC=C2[N+](=O)[O-])C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C21H21N3O3/c1-4-12-23-15(2)13-19(16(23)3)21(25)18(14-22)10-7-9-17-8-5-6-11-20(17)24(26)27/h5-11,13H,4,12H2,1-3H3/b9-7+,18-10+