4-[3-[2-(2,6-dimethyl-3-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(2,6-dimethyl-3-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(2,6-dimethyl-3-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-(2,6-dimethyl-3-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(2,6-dimethyl-3-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-(2,6-dimethyl-3-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5/c1-16-12-13-23(31(34)35)18(3)26(16)36-15-24(32)22-14-17(2)29(19(22)4)25-20(5)28(6)30(27(25)33)21-10-8-7-9-11-21/h7-14H,15H2,1-6H3