N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dibromo-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dibromo-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C21H20Br2N4O4 MolecularWeight: 552.2159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

InChI

InChI=1S/C21H20Br2N4O4/c1-21(2,3)13-4-6-15(7-5-13)31-12-26-9-8-18(25-26)20(28)24-19-16(22)10-14(27(29)30)11-17(19)23/h4-11H,12H2,1-3H3,(H,24,28)