3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)phthalazine-1-carboxamide Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

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