N-[[5-chloranyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[[5-chloranyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyleneamino]-4-nitro-benzamide CAS Name: N-[[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyleneamino]-4-nitro-benzamide Formula: C19H13ClF3N5O3 MolecularWeight: 451.78643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=C1C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H13ClF3N5O3/c1-11-16(10-24-25-18(29)12-5-7-14(8-6-12)28(30)31)17(20)27(26-11)15-4-2-3-13(9-15)19(21,22)23/h2-10H,1H3,(H,25,29)