[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1-methyl-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 [1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H23N3O7/c1-3-19-4-6-20(7-5-19)17(22)12(2)28-18(23)13-10-15-16(27-9-8-26-15)11-14(13)21(24)25/h10-12H,3-9H2,1-2H3