1-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-3-pyrazolin-1-yl]ethanone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(C=C(N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-12(22)20-18(14-3-7-15(8-4-14)21(23)24)11-17(19-20)13-5-9-16(25-2)10-6-13/h3-11,18-19H,1-2H3