N-(4-methyl-3,5-dinitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-13(2)15-4-6-17(7-5-15)32-12-24-9-8-18(23-24)21(27)22-16-10-19(25(28)29)14(3)20(11-16)26(30)31/h4-11,13H,12H2,1-3H3,(H,22,27)