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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-methyl-4-nitro-phenyl)methanone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-14-12-16(5-7-17(14)23(25)26)21(24)22-9-2-4-18(22)15-6-8-19-20(13-15)28-11-3-10-27-19/h5-8,12-13,18H,2-4,9-11H2,1H3