N-[(5-bromanyl-2-octoxy-phenyl)methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-2-octoxy-phenyl)methylideneamino]-4-nitro-benzamide Openeye Name: N-[(5-bromo-2-octoxy-phenyl)methyleneamino]-4-nitro-benzamide CAS Name: N-[(5-bromo-2-octoxyphenyl)methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(5-bromo-2-octoxyphenyl)methylideneamino]-4-nitrobenzamide Traditional Name: N-[(5-bromo-2-octoxy-benzylidene)amino]-4-nitro-benzamide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26BrN3O4/c1-2-3-4-5-6-7-14-30-21-13-10-19(23)15-18(21)16-24-25-22(27)17-8-11-20(12-9-17)26(28)29/h8-13,15-16H,2-7,14H2,1H3,(H,25,27)