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

Systemtic Name: 4-[1-(4-ethoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[1-(4-ethoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[1-(4-ethoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[1-(4-ethoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-(2-nitro-1-p-phenetyl-ethyl)-2-phenyl-3-pyrazolin-3-one Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O4/c1-3-27-17-11-9-15(10-12-17)18(13-22(25)26)19-14(2)21-23(20(19)24)16-7-5-4-6-8-16/h4-12,18,21H,3,13H2,1-2H3