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

Systemtic Name: 2-chloranyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzamide Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O3/c1-11-17(12(2)22(21-11)13-6-4-3-5-7-13)20-18(24)15-10-14(23(25)26)8-9-16(15)19/h3-10H,1-2H3,(H,20,24)