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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H15ClN4O3/c1-4-18-9(3)13(8(2)17-18)16-14(20)11-6-5-10(19(21)22)7-12(11)15/h5-7H,4H2,1-3H3,(H,16,20)