N'-[2-(dimethylamino)-5-nitro-phenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(dimethylamino)-5-nitro-phenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(dimethylamino)-5-nitro-benzoyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(dimethylamino)-5-nitrobenzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-(dimethylamino)-5-nitro-benzoyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C21H22N6O5/c1-4-11-26-21(30)15-8-6-5-7-14(15)18(24-26)20(29)23-22-19(28)16-12-13(27(31)32)9-10-17(16)25(2)3/h5-10,12H,4,11H2,1-3H3,(H,22,28)(H,23,29)