4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15Cl2N3O3 MolecularWeight: 392.236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O3/c1-11-17(18(24)23(21-11)13-5-3-2-4-6-13)15(10-22(25)26)14-8-7-12(19)9-16(14)20/h2-9,15,21H,10H2,1H3