N-(1,3-benzodioxol-5-ylmethyl)-4-imidazol-1-yl-7-nitro-phthalazin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-imidazol-1-yl-7-nitro-phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-imidazol-1-yl-7-nitro-phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-imidazolyl)-7-nitro-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-imidazol-1-yl-7-nitrophthalazin-1-amine Traditional Name: (4-imidazol-1-yl-7-nitro-phthalazin-1-yl)-piperonyl-amine Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(C4=C3C=C(C=C4)[N+](=O)[O-])N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(C4=C3C=C(C=C4)[N+](=O)[O-])N5C=CN=C5

InChI

InChI=1S/C19H14N6O4/c26-25(27)13-2-3-14-15(8-13)18(22-23-19(14)24-6-5-20-10-24)21-9-12-1-4-16-17(7-12)29-11-28-16/h1-8,10H,9,11H2,(H,21,22)