[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C15H15N3O7/c1-17(4-2-3-16)14(19)9-25-15(20)10-7-12-13(24-6-5-23-12)8-11(10)18(21)22/h7-8H,2,4-6,9H2,1H3