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

Systemtic Name: 4-chloranyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide CAS Name: 4-chloro-3-nitro-N-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]phenyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c1-12-17(13(2)24(3)23-12)10-14-4-7-16(8-5-14)22-20(26)15-6-9-18(21)19(11-15)25(27)28/h4-9,11H,10H2,1-3H3,(H,22,26)