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

Systemtic Name: 2-chloranyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-benzamide Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3/c1-12-17(13(2)23(22-12)14-6-4-3-5-7-14)11-21-19(25)16-10-15(24(26)27)8-9-18(16)20/h3-10H,11H2,1-2H3,(H,21,25)