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

Systemtic Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-3-pyrazolin-3-one Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O)OC

InChI

InChI=1S/C19H19N3O6/c1-27-15-8-7-11(9-16(15)28-2)13(10-22(25)26)17-18(20-21-19(17)24)12-5-3-4-6-14(12)23/h3-9,13,23H,10H2,1-2H3,(H2,20,21,24)