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

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitro-pyridine Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitro-pyridine CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-5-nitropyridine IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-5-nitropyridine Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-5-nitro-pyridine Formula: C18H19N3O4 MolecularWeight: 341.36116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c22-21(23)14-5-7-18(19-12-14)20-8-1-3-15(20)13-4-6-16-17(11-13)25-10-2-9-24-16/h4-7,11-12,15H,1-3,8-10H2/t15-/m0/s1