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

Systemtic Name: N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN6O4/c1-13-14(19)11-23(21-13)9-4-8-20-18(26)15-7-10-24(22-15)12-29-17-6-3-2-5-16(17)25(27)28/h2-3,5-7,10-11H,4,8-9,12H2,1H3,(H,20,26)