methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-butyric acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-17-12(14)5-9(6-13(15)16)8-2-3-10-11(4-8)19-7-18-10/h2-4,9H,5-7H2,1H3