1-[4-chloranyl-2-[(Z)-N-oxidanyl-C-phenyl-carbonimidoyl]pentyl]pyrazole-3,5-dicarboxylic acid

Systemtic Name: 1-[4-chloranyl-2-[(Z)-N-oxidanyl-C-phenyl-carbonimidoyl]pentyl]pyrazole-3,5-dicarboxylic acid Openeye Name: 1-[4-chloro-2-[(Z)-N-hydroxy-C-phenyl-carbonimidoyl]pentyl]pyrazole-3,5-dicarboxylic acid CAS Name: 1-[4-chloro-2-[(Z)-hydroxyimino(phenyl)methyl]pentyl]pyrazole-3,5-dicarboxylic acid IUPAC Name: 1-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]pentyl]pyrazole-3,5-dicarboxylic acid Traditional Name: 1-[4-chloro-2-[(Z)-phenylcarbohydroximoyl]pentyl]pyrazole-3,5-dicarboxylic acid Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CN1C(=CC(=N1)C(=O)O)C(=O)O)C(=NO)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(CC(CN1C(=CC(=N1)C(=O)O)C(=O)O)/C(=N/O)/C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H18ClN3O5/c1-10(18)7-12(15(20-26)11-5-3-2-4-6-11)9-21-14(17(24)25)8-13(19-21)16(22)23/h2-6,8,10,12,26H,7,9H2,1H3,(H,22,23)(H,24,25)/b20-15+