N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-[(2-bromanyl-4-methyl-phenyl)amino]ethanamide

Systemtic Name: N-[[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-2-[(2-bromanyl-4-methyl-phenyl)amino]ethanamide Openeye Name: N-[[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-2-(2-bromo-4-methyl-anilino)acetamide CAS Name: N-[[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-2-(2-bromo-4-methylanilino)acetamide IUPAC Name: N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(2-bromo-4-methylanilino)acetamide Traditional Name: N-[[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-2-(2-bromo-4-methyl-anilino)acetamide Formula: C22H26BrN5O3 MolecularWeight: 488.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)Br

InChI

InChI=1S/C22H26BrN5O3/c1-16-6-8-20(19(23)12-16)24-15-22(29)26-25-14-17-13-18(28(30)31)7-9-21(17)27-10-4-2-3-5-11-27/h6-9,12-14,24H,2-5,10-11,15H2,1H3,(H,26,29)