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

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4,5-dimethoxy-2-nitro-phenyl)acrylonitrile Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C#N

InChI

InChI=1S/C21H21N3O5/c1-6-7-23-13(2)8-17(14(23)3)21(25)16(12-22)9-15-10-19(28-4)20(29-5)11-18(15)24(26)27/h6,8-11H,1,7H2,2-5H3/b16-9+