3,5-dimethoxy-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]benzamide Openeye Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]benzamide CAS Name: 3,5-dimethoxy-N-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]benzamide IUPAC Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide Traditional Name: 3,5-dimethoxy-N-[(3-nitro-4-pyrrolidino-benzylidene)amino]benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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