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

Systemtic Name: N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-3,5-dimethoxy-benzamide CAS Name: N-[[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide Traditional Name: N-[[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-3,5-dimethoxy-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)OC

InChI

InChI=1S/C22H26N4O5/c1-30-19-12-16(13-20(14-19)31-2)22(27)24-23-15-17-11-18(26(28)29)7-8-21(17)25-9-5-3-4-6-10-25/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,24,27)