2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitro-phenolate

Systemtic Name: 2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitro-phenolate Openeye Name: 2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitro-phenolate CAS Name: 2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitrophenolate IUPAC Name: 2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitrophenolate Traditional Name: 2-[(5S)-5-(4-chlorophenyl)-2-pyrazolin-3-yl]-4-nitro-phenolate Formula: C15H11ClN3O3- MolecularWeight: 316.71914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NN=C1C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1[C@H](NN=C1C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H12ClN3O3/c16-10-3-1-9(2-4-10)13-8-14(18-17-13)12-7-11(19(21)22)5-6-15(12)20/h1-7,13,17,20H,8H2/p-1/t13-/m0/s1