(2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methyl-2-nitro-phenoxy)propanamide Openeye Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-methyl-2-nitro-phenoxy)propanamide CAS Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-methyl-2-nitrophenoxy)propanamide IUPAC Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methyl-2-nitrophenoxy)propanamide Traditional Name: (2R)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-methyl-2-nitro-phenoxy)propionamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-13-10-11-18(17(12-13)25(28)29)30-15(3)20(26)22-19-14(2)23(4)24(21(19)27)16-8-6-5-7-9-16/h5-12,15H,1-4H3,(H,22,26)/t15-/m1/s1