dimethyl 1-[4-chloranyl-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl]pyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[4-chloranyl-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl]pyrazole-3,5-dicarboxylate Openeye Name: dimethyl 1-[4-chloro-2-[(E)-N-hydroxy-C-phenyl-carbonimidoyl]phenyl]pyrazole-3,5-dicarboxylate CAS Name: 1-[4-chloro-2-[(E)-hydroxyimino(phenyl)methyl]phenyl]pyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[4-chloro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]pyrazole-3,5-dicarboxylate Traditional Name: 1-[4-chloro-2-[(E)-phenylcarbohydroximoyl]phenyl]pyrazole-3,5-dicarboxylic acid dimethyl ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)Cl)C(=NO)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)Cl)/C(=N/O)/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H16ClN3O5/c1-28-19(25)15-11-17(20(26)29-2)24(22-15)16-9-8-13(21)10-14(16)18(23-27)12-6-4-3-5-7-12/h3-11,27H,1-2H3/b23-18+