2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-20(25(27)28)15(2)24(23-14)16(3)21(26)22-18-9-11-19(12-10-18)29-13-17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,22,26)