2-(1,3-benzodioxol-5-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-5-nitro-benzonitrile CAS Name: 2-(1,3-benzodioxol-5-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-5-nitro-benzonitrile Formula: C14H9N3O4 MolecularWeight: 283.23896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H9N3O4/c15-7-9-5-11(17(18)19)2-3-12(9)16-10-1-4-13-14(6-10)21-8-20-13/h1-6,16H,8H2