2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O3/c1-13-10-18(15(3)22(13)11-17-8-6-5-7-9-17)19(25)12-23-16(4)20(24(26)27)14(2)21-23/h5-10H,11-12H2,1-4H3