methyl 3-(1,3-benzodioxol-5-yl)-2-nitro-propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-2-nitro-propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-2-nitro-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-nitropropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-2-nitropropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-nitro-propionic acid methyl ester Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-16-11(13)8(12(14)15)4-7-2-3-9-10(5-7)18-6-17-9/h2-3,5,8H,4,6H2,1H3