N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-phenylazanyl-ethanamide

Systemtic Name: N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-N-[[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]acetamide CAS Name: 2-anilino-N-[[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-anilino-N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]acetamide Traditional Name: 2-anilino-N-[[2-(azepan-1-yl)-5-nitro-benzylidene]amino]acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CNC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CNC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O3/c27-21(16-22-18-8-4-3-5-9-18)24-23-15-17-14-19(26(28)29)10-11-20(17)25-12-6-1-2-7-13-25/h3-5,8-11,14-15,22H,1-2,6-7,12-13,16H2,(H,24,27)