N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]phthalazine-1-carboxamide Formula: C19H16N4O6 MolecularWeight: 396.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H16N4O6/c1-20-18(24)16-14-4-2-3-5-15(14)19(25)22(21-16)8-11-6-13(23(26)27)7-12-9-28-10-29-17(11)12/h2-7H,8-10H2,1H3,(H,20,24)