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

Systemtic Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(2-hydroxyphenyl)-4-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-3-pyrazolin-3-one Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C2=C(NNC2=O)C3=CC=CC=C3O

InChI

InChI=1S/C20H21N3O7/c1-28-15-8-11(9-16(29-2)19(15)30-3)13(10-23(26)27)17-18(21-22-20(17)25)12-6-4-5-7-14(12)24/h4-9,13,24H,10H2,1-3H3,(H2,21,22,25)