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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-14(2)15-4-6-16(7-5-15)30-13-24-11-10-19(23-24)21(26)22-18-9-8-17(29-3)12-20(18)25(27)28/h4-12,14H,13H2,1-3H3,(H,22,26)