propan-2-yl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-nitro-2-oxidanyl-benzoate

Systemtic Name: propan-2-yl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-nitro-2-oxidanyl-benzoate Openeye Name: isopropyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitro-benzoate CAS Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-2-hydroxy-3-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate Traditional Name: 2-hydroxy-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-3-nitro-benzoic acid isopropyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])O)C(=O)OC(C)C

InChI

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