1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazine Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4/c20-19(21)14-7-16-15(22-9-23-16)6-11(14)5-13-12-4-2-1-3-10(12)8-17-18-13/h1-4,6-8H,5,9H2