(2-methoxy-5-nitro-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-methoxy-5-nitro-phenyl) ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c1-19-16(21)12-6-4-3-5-11(12)15(18-19)17(22)26-14-9-10(20(23)24)7-8-13(14)25-2/h3-9H,1-2H3