[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(3-nitrophenyl)methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-nitrophenyl)methanone Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O5/c23-20(15-4-1-5-16(12-15)22(24)25)21-9-2-6-17(21)14-7-8-18-19(13-14)27-11-3-10-26-18/h1,4-5,7-8,12-13,17H,2-3,6,9-11H2