4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C30H27N5O6 MolecularWeight: 553.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C30H27N5O6/c1-18-26(29(36)33(31(18)3)20-11-7-5-8-12-20)28(22-15-24-25(41-17-40-24)16-23(22)35(38)39)27-19(2)32(4)34(30(27)37)21-13-9-6-10-14-21/h5-16,28H,17H2,1-4H3