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

Systemtic Name: 3-ethyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)phthalazine-1-carboxamide Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C20H18N4O6/c1-2-23-20(26)13-7-4-3-6-12(13)18(22-23)19(25)21-14-10-16-17(11-15(14)24(27)28)30-9-5-8-29-16/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,21,25)