N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(o-tolyl)-1,3-benzoxazol-5-yl]methanimine CAS Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methylene-[2-(o-tolyl)-1,3-benzoxazol-5-yl]amine Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H15N3O5/c1-13-4-2-3-5-16(13)22-24-17-9-15(6-7-19(17)30-22)23-11-14-8-20-21(29-12-28-20)10-18(14)25(26)27/h2-11H,12H2,1H3