N'-(2-chloranyl-4-nitro-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2-chloranyl-4-nitro-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2-chloro-4-nitro-benzoyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[(2-chloro-4-nitrophenyl)-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-chloro-4-nitrobenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(2-chloro-4-nitro-benzoyl)-4-keto-phthalazine-1-carbohydrazide Formula: C21H20ClN5O5 MolecularWeight: 457.867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN5O5/c1-2-3-6-11-26-21(30)15-8-5-4-7-14(15)18(25-26)20(29)24-23-19(28)16-10-9-13(27(31)32)12-17(16)22/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,23,28)(H,24,29)