N-(3H-1,2-benzodioxol-6-ylmethyl)-4-chloranyl-6-nitro-phthalazin-1-amine

Systemtic Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-chloranyl-6-nitro-phthalazin-1-amine Openeye Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-chloro-6-nitro-phthalazin-1-amine CAS Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-chloro-6-nitro-1-phthalazinamine IUPAC Name: N-(3H-1,2-benzodioxol-6-ylmethyl)-4-chloro-6-nitrophthalazin-1-amine Traditional Name: 3H-1,2-benzodioxol-6-ylmethyl-(4-chloro-6-nitro-phthalazin-1-yl)amine Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CNC3=NN=C(C4=C3C=CC(=C4)[N+](=O)[O-])Cl)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)CNC3=NN=C(C4=C3C=CC(=C4)[N+](=O)[O-])Cl)OO1

InChI

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