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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-12(22)20-18(14-4-3-5-15(10-14)21(23)24)11-17(19-20)13-6-8-16(25-2)9-7-13/h3-10,18H,11H2,1-2H3/t18-/m0/s1