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

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-chloranyl-5-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4/c1-21(2,3)14-4-7-16(8-5-14)30-13-25-11-10-18(24-25)20(27)23-19-12-15(26(28)29)6-9-17(19)22/h4-12H,13H2,1-3H3,(H,23,27)