[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C21H20N2O7/c24-20(22-8-4-5-9-22)19(14-6-2-1-3-7-14)30-21(25)15-12-17-18(29-11-10-28-17)13-16(15)23(26)27/h1-3,6-7,12-13,19H,4-5,8-11H2/t19-/m1/s1