N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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