(2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1,2-bis(4-methylphenyl)ethanone

Systemtic Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1,2-bis(4-methylphenyl)ethanone Openeye Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1,2-bis(p-tolyl)ethanone CAS Name: (2R)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1,2-bis(4-methylphenyl)ethanone IUPAC Name: (2R)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1,2-bis(4-methylphenyl)ethanone Traditional Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1,2-bis(p-tolyl)ethanone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O3/c1-13-5-9-17(10-6-13)20(21(25)18-11-7-14(2)8-12-18)23-16(4)19(24(26)27)15(3)22-23/h5-12,20H,1-4H3/t20-/m1/s1