5-bromanyl-4-nitro-N-(phenylmethyl)-2-propan-2-yl-pyrazol-3-amine

Systemtic Name: 5-bromanyl-4-nitro-N-(phenylmethyl)-2-propan-2-yl-pyrazol-3-amine Openeye Name: N-benzyl-5-bromo-2-isopropyl-4-nitro-pyrazol-3-amine CAS Name: 5-bromo-4-nitro-N-(phenylmethyl)-2-propan-2-yl-3-pyrazolamine IUPAC Name: N-benzyl-5-bromo-4-nitro-2-propan-2-ylpyrazol-3-amine Traditional Name: benzyl-(5-bromo-2-isopropyl-4-nitro-pyrazol-3-yl)amine Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)N1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C13H15BrN4O2/c1-9(2)17-13(11(18(19)20)12(14)16-17)15-8-10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3