N'-(3-nitro-4-oxidanyl-phenyl)sulfonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(3-nitro-4-oxidanyl-phenyl)sulfonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(4-hydroxy-3-nitro-phenyl)sulfonyl-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-(4-hydroxy-3-nitrophenyl)sulfonyl-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(4-hydroxy-3-nitrophenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(4-hydroxy-3-nitro-phenyl)sulfonyl-4-keto-phthalazine-1-carbohydrazide Formula: C20H21N5O7S MolecularWeight: 475.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O7S/c1-2-3-6-11-24-20(28)15-8-5-4-7-14(15)18(22-24)19(27)21-23-33(31,32)13-9-10-17(26)16(12-13)25(29)30/h4-5,7-10,12,23,26H,2-3,6,11H2,1H3,(H,21,27)