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

Systemtic Name: (3-nitrophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-nitrophenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-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=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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