(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)acrylonitrile Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3/c1-4-7-22-12(2)8-16(13(22)3)19(24)15(11-21)9-14-5-6-17(20)18(10-14)23(25)26/h5-6,8-10H,4,7H2,1-3H3/b15-9+