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

Systemtic Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-4-29-16-7-8-17(19(12-16)25(27)28)22-21(26)18-9-10-24(23-18)13-30-20-11-14(2)5-6-15(20)3/h5-12H,4,13H2,1-3H3,(H,22,26)