[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-27-18-7-6-15(12-17(18)23(25)26)21(24)22-9-3-4-16(22)14-5-8-19-20(13-14)29-11-10-28-19/h5-8,12-13,16H,2-4,9-11H2,1H3/t16-/m0/s1