ethyl 3-azanyl-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: ethyl 3-azanyl-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate Openeye Name: ethyl 3-amino-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate CAS Name: 3-amino-3-(6-nitro-1,3-benzodioxol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-amino-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-amino-3-(6-nitro-1,3-benzodioxol-5-yl)propionic acid ethyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-2-18-12(15)4-8(13)7-3-10-11(20-6-19-10)5-9(7)14(16)17/h3,5,8H,2,4,6,13H2,1H3