N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-pyrazol-1-yl-propan-2-amine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-pyrazol-1-yl-propan-2-amine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-1-pyrazol-1-yl-propan-2-amine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-(1-pyrazolyl)-2-propanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine Traditional Name: (4-bromo-3-nitro-benzyl)-(1-methyl-2-pyrazol-1-yl-ethyl)amine Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(CN1C=CC=N1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN4O2/c1-10(9-17-6-2-5-16-17)15-8-11-3-4-12(14)13(7-11)18(19)20/h2-7,10,15H,8-9H2,1H3