(E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-nitrophenyl)acrylonitrile Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-4-8-21-13(2)9-18(14(21)3)19(23)16(12-20)10-15-6-5-7-17(11-15)22(24)25/h5-7,9-11H,4,8H2,1-3H3/b16-10+