4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[(1-ethyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN6O3/c1-2-22-10-13(8-20-22)7-19-17(25)14-5-3-12(4-6-14)9-23-11-15(18)16(21-23)24(26)27/h3-6,8,10-11H,2,7,9H2,1H3,(H,19,25)