3,5-dimethoxy-N-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide Openeye Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]benzamide CAS Name: 3,5-dimethoxy-N-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]benzamide IUPAC Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide Traditional Name: 3,5-dimethoxy-N-[(5-nitro-2-pyrrolidino-benzylidene)amino]benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OC

InChI

InChI=1S/C20H22N4O5/c1-28-17-10-14(11-18(12-17)29-2)20(25)22-21-13-15-9-16(24(26)27)5-6-19(15)23-7-3-4-8-23/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,25)