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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxy-2-nitro-phenoxy)propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-methoxy-2-nitro-phenoxy)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-methoxy-2-nitrophenoxy)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxy-2-nitrophenoxy)propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-methoxy-2-nitro-phenoxy)propionamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-13-19(21(27)24(23(13)3)15-8-6-5-7-9-15)22-20(26)14(2)31-18-11-10-16(30-4)12-17(18)25(28)29/h5-12,14H,1-4H3,(H,22,26)