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

Systemtic Name: N-[1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-4-yl]-4-nitro-benzamide Openeye Name: N-[1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-4-yl]-4-nitro-benzamide CAS Name: N-[1-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-4-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-yl]-4-nitrobenzamide Traditional Name: N-[1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-4-yl]-4-nitro-benzamide Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=C(C=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CN2C=C(C=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H15ClN6O3/c1-10-15(17)11(2)22(20-10)9-21-8-13(7-18-21)19-16(24)12-3-5-14(6-4-12)23(25)26/h3-8H,9H2,1-2H3,(H,19,24)