ethyl 3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19N5O7 MolecularWeight: 453.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O7/c1-3-25-20(29)16-8-6-5-7-15(16)17(24-25)19(28)23-22-18(27)12-9-13(21(30)33-4-2)11-14(10-12)26(31)32/h5-11H,3-4H2,1-2H3,(H,22,27)(H,23,28)