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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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