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

Systemtic Name: 1-[(4-chloranyl-3-methyl-phenoxy)methyl]-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C18H15ClN4O5/c1-11-8-13(3-4-14(11)19)28-10-22-7-6-15(21-22)18(25)20-16-9-12(23(26)27)2-5-17(16)24/h2-9,24H,10H2,1H3,(H,20,25)