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

Systemtic Name: methyl 2-[6-(4-nitrophenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate Openeye Name: methyl 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetate CAS Name: 2-[6-[(4-nitrophenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetate Traditional Name: 2-[6-(4-nitrobenzoyl)-1,3-benzodioxol-5-yl]acetic acid methyl ester Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO7/c1-23-16(19)7-11-6-14-15(25-9-24-14)8-13(11)17(20)10-2-4-12(5-3-10)18(21)22/h2-6,8H,7,9H2,1H3