4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N6O4/c1-14-12-20(21(31)13-27-18(5)22(30(33)34)15(2)25-27)16(3)28(14)23-17(4)26(6)29(24(23)32)19-10-8-7-9-11-19/h7-12H,13H2,1-6H3