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

Systemtic Name: ethyl 3-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)propanoate Openeye Name: ethyl 3-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)propanoate CAS Name: 3-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)propanoate Traditional Name: 3-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)propionic acid ethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CCC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H15NO6/c1-3-18-12(15)6-7-13(2)19-10-5-4-9(14(16)17)8-11(10)20-13/h4-5,8H,3,6-7H2,1-2H3