2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-5-nitro-benzonitrile Formula: C17H14ClN3O4 MolecularWeight: 359.76376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)Cl)OC1

InChI

InChI=1S/C17H14ClN3O4/c18-14-6-11(7-16-17(14)25-5-1-4-24-16)10-20-15-3-2-13(21(22)23)8-12(15)9-19/h2-3,6-8,20H,1,4-5,10H2