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

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-12(2)15-4-3-13(8-17(15)24(27)28)7-14(11-22)21(26)23-16-9-19-20(32-6-5-31-19)10-18(16)25(29)30/h3-4,7-10,12H,5-6H2,1-2H3,(H,23,26)/b14-7+