(4-nitrophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-nitrophenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-3-4-7-14-23-20(25)18-9-6-5-8-17(18)19(22-23)21(26)29-16-12-10-15(11-13-16)24(27)28/h5-6,8-13H,2-4,7,14H2,1H3