methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-benzoate CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O6/c1-26-20(23)15-12-14(22(24)25)5-6-17(15)21-8-2-3-16(21)13-4-7-18-19(11-13)28-10-9-27-18/h4-7,11-12,16H,2-3,8-10H2,1H3