4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-3-pyrazolin-3-one Formula: C17H13Cl2N3O4 MolecularWeight: 394.20882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C17H13Cl2N3O4/c18-9-5-6-10(13(19)7-9)12(8-22(25)26)15-16(20-21-17(15)24)11-3-1-2-4-14(11)23/h1-7,12,23H,8H2,(H2,20,21,24)