2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(o-tolyl)quinoline-4-carboxamide CAS Name: 2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(o-tolyl)cinchoninamide Formula: C25H18N4O5 MolecularWeight: 454.43422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C25H18N4O5/c1-15-6-2-3-7-17(15)21-11-19(18-8-4-5-9-20(18)27-21)25(30)28-26-13-16-10-23-24(34-14-33-23)12-22(16)29(31)32/h2-13H,14H2,1H3,(H,28,30)/b26-13+