N-[4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide

Systemtic Name: N-[4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide Openeye Name: N-[4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide CAS Name: N-[4-[1-(4-methoxyphenyl)-2-nitroethyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide IUPAC Name: N-[4-[1-(4-methoxyphenyl)-2-nitroethyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide Traditional Name: N-[5-keto-4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1-phenyl-2-pyrazolin-3-yl]acetamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1C(C[N+](=O)[O-])C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1C(C[N+](=O)[O-])C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-13(25)21-19-18(20(26)24(22-19)15-6-4-3-5-7-15)17(12-23(27)28)14-8-10-16(29-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,21,22,25)