5-chloranyl-3-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O4/c1-13-18(19(21)24(23-13)12-14-5-3-2-4-6-14)20(27)22-11-17(26)15-7-9-16(10-8-15)25(28)29/h2-10,17,26H,11-12H2,1H3,(H,22,27)