N-[2-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H19ClF3N5O3 MolecularWeight: 493.86617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H19ClF3N5O3/c1-13-10-20(30(28-13)18-12-15(22(24,25)26)5-6-16(18)23)27-21(32)14-4-7-17(19(11-14)31(33)34)29-8-2-3-9-29/h4-7,10-12H,2-3,8-9H2,1H3,(H,27,32)