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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C14H14N2O7/c17-13(15-8-1-2-8)7-23-14(18)9-5-11-12(22-4-3-21-11)6-10(9)16(19)20/h5-6,8H,1-4,7H2,(H,15,17)