6-bromanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-quinazolin-2-amine

Systemtic Name: 6-bromanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-quinazolin-2-amine Openeye Name: 6-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-phenyl-quinazolin-2-amine CAS Name: 6-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-2-quinazolinamine IUPAC Name: 6-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenylquinazolin-2-amine Traditional Name: (6-bromo-4-phenyl-quinazolin-2-yl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C22H14BrN5O4 MolecularWeight: 492.28166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrN5O4/c23-15-6-7-17-16(9-15)21(13-4-2-1-3-5-13)26-22(25-17)27-24-11-14-8-19-20(32-12-31-19)10-18(14)28(29)30/h1-11H,12H2,(H,25,26,27)/b24-11+