4-[3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate

Systemtic Name: 4-[3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[3-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-3-oxo-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate CAS Name: 4-[3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-3-oxopropyl]-2-(4-fluorophenyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-3-oxopropyl]-2-(4-fluorophenyl)-5-methylpyrazol-3-olate Traditional Name: 4-[3-[(2-chloro-5-nitro-benzyl)-methyl-amino]-3-keto-propyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Formula: C21H19ClFN4O4- MolecularWeight: 445.851363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20ClFN4O4/c1-13-18(21(29)26(24-13)16-5-3-15(23)4-6-16)8-10-20(28)25(2)12-14-11-17(27(30)31)7-9-19(14)22/h3-7,9,11,29H,8,10,12H2,1-2H3/p-1