[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7/c1-4-32-14-9-10-17(18(11-14)26(30)31)23-19(27)12-33-22(29)20-15-7-5-6-8-16(15)21(28)25(24-20)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,27)