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

Systemtic Name: (5-methyl-2-nitro-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-methyl-2-nitro-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (5-methyl-2-nitro-phenyl) ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C17H13N3O5/c1-10-7-8-13(20(23)24)14(9-10)25-17(22)15-11-5-3-4-6-12(11)16(21)19(2)18-15/h3-9H,1-2H3