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

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2,6-dibromo-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2,6-dibromo-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H13Br2ClN4O4 MolecularWeight: 544.58122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C18H13Br2ClN4O4/c1-10-6-12(2-3-15(10)21)29-9-24-5-4-16(23-24)18(26)22-17-13(19)7-11(25(27)28)8-14(17)20/h2-8H,9H2,1H3,(H,22,26)