1-(4-bromanyl-3-nitro-phenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanimine

Systemtic Name: 1-(4-bromanyl-3-nitro-phenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanimine Openeye Name: 1-(4-bromo-3-nitro-phenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanimine CAS Name: 1-(4-bromo-3-nitrophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanimine IUPAC Name: 1-(4-bromo-3-nitrophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanimine Traditional Name: (4-bromo-3-nitro-benzylidene)-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]amine Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-28-16-6-3-14(4-7-16)21-24-18-9-5-15(11-20(18)29-21)23-12-13-2-8-17(22)19(10-13)25(26)27/h2-12H,1H3