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

Systemtic Name: (2-nitrophenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (2-nitrophenyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (2-nitrobenzyl) ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-2-11-21-18(23)15-9-5-4-8-14(15)17(20-21)19(24)27-12-13-7-3-6-10-16(13)22(25)26/h3-10H,2,11-12H2,1H3