4-bromanyl-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1,5-dimethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Br)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Br)C)C)C)C

InChI

InChI=1S/C21H21BrN4O4/c1-11-6-12(2)13(3)18(7-11)30-17-9-15(8-16(10-17)26(28)29)23-21(27)20-19(22)14(4)25(5)24-20/h6-10H,1-5H3,(H,23,27)