1-[(3,5-dimethylphenoxy)methyl]-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5/c1-12-7-13(2)9-15(8-12)28-11-22-6-5-16(21-22)19(25)20-17-10-14(23(26)27)3-4-18(17)24/h3-10,24H,11H2,1-2H3,(H,20,25)