(1-azanyl-1-oxidanylidene-propan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C11H10N2O7 MolecularWeight: 282.2063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O7/c1-5(10(12)14)20-11(15)6-2-8-9(19-4-18-8)3-7(6)13(16)17/h2-3,5H,4H2,1H3,(H2,12,14)