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

Systemtic Name: 5-chloranyl-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(2-hydroxy-5-nitro-benzyl)-3-methyl-pyrazole-4-carboxamide Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4O4/c1-12-17(18(20)23(22-12)11-13-5-3-2-4-6-13)19(26)21-10-14-9-15(24(27)28)7-8-16(14)25/h2-9,25H,10-11H2,1H3,(H,21,26)