(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H19N3O6/c1-23(2)18-5-3-14(4-6-18)7-15(10-22)21(25)29-12-17-9-19(24(26)27)8-16-11-28-13-30-20(16)17/h3-9H,11-13H2,1-2H3/b15-7+