4-[2,5-dimethyl-3-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(6-methyl-2-nitropyridin-3-yl)oxyacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H25N5O5 MolecularWeight: 475.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5/c1-15-11-12-22(24(26-15)30(33)34)35-14-21(31)20-13-16(2)28(17(20)3)23-18(4)27(5)29(25(23)32)19-9-7-6-8-10-19/h6-13H,14H2,1-5H3