4-chloranyl-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H15ClN4O4 MolecularWeight: 338.7463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN4O4/c1-6(2)8-5-9(7(3)4-10(8)20)16-14(21)12-11(15)13(18-17-12)19(22)23/h4-6,20H,1-3H3,(H,16,21)(H,17,18)