3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitro-butan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitro-butan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitro-butan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitro-1-butanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitrobutan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-methyl-4-nitro-butan-1-one Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19NO6/c1-12(19(21)13-3-6-15(24-2)7-4-13)16(10-20(22)23)14-5-8-17-18(9-14)26-11-25-17/h3-9,12,16H,10-11H2,1-2H3