(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C22H23N3O6/c1-4-5-24-14(2)6-16(15(24)3)7-17(10-23)22(26)30-12-19-9-20(25(27)28)8-18-11-29-13-31-21(18)19/h6-9H,4-5,11-13H2,1-3H3