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

Systemtic Name: propyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-nitro-2-oxidanyl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])O

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])O

InChI

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