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

Systemtic Name: N-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-nitro-benzamide Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H15ClN4O3/c1-9-13(15)10(2)18(17-9)7-6-16-14(20)11-4-3-5-12(8-11)19(21)22/h3-5,8H,6-7H2,1-2H3,(H,16,20)