(2-nitrophenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-nitrophenyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2-nitrobenzyl) ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-13(2)11-22-19(24)16-9-5-4-8-15(16)18(21-22)20(25)28-12-14-7-3-6-10-17(14)23(26)27/h3-10,13H,11-12H2,1-2H3