5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzenecarbonitrile Openeye Name: 5-nitro-2-(3,4,5-trimethoxyanilino)benzonitrile CAS Name: 5-nitro-2-(3,4,5-trimethoxyanilino)benzonitrile IUPAC Name: 5-nitro-2-(3,4,5-trimethoxyanilino)benzonitrile Traditional Name: 5-nitro-2-(3,4,5-trimethoxyanilino)benzonitrile Formula: C16H15N3O5 MolecularWeight: 329.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O5/c1-22-14-7-11(8-15(23-2)16(14)24-3)18-13-5-4-12(19(20)21)6-10(13)9-17/h4-8,18H,1-3H3