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

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19BrN2O5/c21-15-6-4-14(11-17(15)23(25)26)20(24)22-8-1-3-16(22)13-5-7-18-19(12-13)28-10-2-9-27-18/h4-7,11-12,16H,1-3,8-10H2/t16-/m0/s1