1-(4-chlorophenyl)-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(4-chlorophenyl)-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(4-chlorophenyl)-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(4-chlorophenyl)-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxopyridazine-3-carboxamide Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyridazine-3-carboxamide Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H17ClN4O6/c1-12-9-17(27)20(24-25(12)14-5-3-13(22)4-6-14)21(28)23-15-10-18-19(11-16(15)26(29)30)32-8-2-7-31-18/h3-6,9-11H,2,7-8H2,1H3,(H,23,28)