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

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5/c1-4-30-15-5-6-17(19(11-15)26(28)29)23-21(27)18-7-8-25(24-18)12-31-16-9-13(2)20(22)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,23,27)