2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-5-nitro-benzonitrile Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c21-13-15-11-16(23(24)25)5-6-18(15)22-8-1-3-17(22)14-4-7-19-20(12-14)27-10-2-9-26-19/h4-7,11-12,17H,1-3,8-10H2/t17-/m1/s1