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

Systemtic Name: N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C17H19N7O4 MolecularWeight: 385.37726

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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)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4/c1-10(2)12-7-14(11(3)6-15(12)25)19-16(26)13-4-5-22(20-13)9-23-8-18-17(21-23)24(27)28/h4-8,10,25H,9H2,1-3H3,(H,19,26)