(4-aminocarbonyl-2-nitro-phenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O6/c1-2-3-4-7-12-26-22(29)18-9-6-5-8-17(18)20(25-26)23(30)33-14-16-11-10-15(21(24)28)13-19(16)27(31)32/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H2,24,28)