[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-4-24-20(27)15-8-6-5-7-14(15)19(23-24)21(28)31-11-18(26)22-16-9-12(2)13(3)10-17(16)25(29)30/h5-10H,4,11H2,1-3H3,(H,22,26)