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

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(4-nitrophenyl)methanone IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(4-nitrophenyl)methanone Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H18N2O5/c22-19(13-3-6-15(7-4-13)21(23)24)20-9-1-2-16(20)14-5-8-17-18(12-14)26-11-10-25-17/h3-8,12,16H,1-2,9-11H2/t16-/m0/s1