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

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H18Br2N4O4 MolecularWeight: 538.18932

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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=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18Br2N4O4/c1-12(2)13-3-5-15(6-4-13)30-11-25-8-7-18(24-25)20(27)23-19-16(21)9-14(26(28)29)10-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,27)