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

Systemtic Name: (4-nitrophenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-nitrophenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-18-15(20)13-5-3-2-4-12(13)14(17-18)16(21)24-11-8-6-10(7-9-11)19(22)23/h2-9H,1H3