(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C21H22N4O5/c1-12(2)24-13(3)7-15(14(24)4)8-16(11-22)21(26)23-17-9-19-20(30-6-5-29-19)10-18(17)25(27)28/h7-10,12H,5-6H2,1-4H3,(H,23,26)/b16-8+