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

Systemtic Name: 3-acetamido-N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]benzamide Openeye Name: 3-acetamido-N-[[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]benzamide CAS Name: 3-acetamido-N-[[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[2-(azepan-1-yl)-5-nitro-benzylidene]amino]benzamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C22H25N5O4/c1-16(28)24-19-8-6-7-17(13-19)22(29)25-23-15-18-14-20(27(30)31)9-10-21(18)26-11-4-2-3-5-12-26/h6-10,13-15H,2-5,11-12H2,1H3,(H,24,28)(H,25,29)