N-(2-methyl-4-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N4O4/c1-14(2)16-4-7-18(8-5-16)29-13-24-11-10-20(23-24)21(26)22-19-9-6-17(25(27)28)12-15(19)3/h4-12,14H,13H2,1-3H3,(H,22,26)