(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C16H17NO7/c1-16(2,3)14(18)8-22-15(19)5-4-10-6-12-13(24-9-23-12)7-11(10)17(20)21/h4-7H,8-9H2,1-3H3/b5-4+