N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C19H21BrN6O4 MolecularWeight: 477.31184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C)Br

InChI

InChI=1S/C19H21BrN6O4/c1-13-18(20)14(2)25(22-13)10-5-9-21-19(27)15-8-11-24(23-15)12-30-17-7-4-3-6-16(17)26(28)29/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,21,27)