3-oxidanylidenebutan-2-yl 2-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetate CAS Name: 2-[6-[(4-nitrophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetate Traditional Name: 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetic acid (2-keto-1-methyl-propyl) ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C(=O)C)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2

InChI

InChI=1S/C20H17NO8/c1-11(22)12(2)29-19(23)8-14-7-17-18(28-10-27-17)9-16(14)20(24)13-3-5-15(6-4-13)21(25)26/h3-7,9,12H,8,10H2,1-2H3