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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-7-nitro-phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-7-nitro-phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-7-nitro-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-7-nitrophthalazin-1-amine Traditional Name: (4-chloro-7-nitro-phthalazin-1-yl)-piperonyl-amine Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O4/c17-15-11-3-2-10(21(22)23)6-12(11)16(20-19-15)18-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,18,20)