N-[(4-bromanyl-3-nitro-phenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine Traditional Name: (4-bromo-3-nitro-benzyl)-(3,5-dimethyl-1H-pyrazol-4-yl)amine Formula: C12H13BrN4O2 MolecularWeight: 325.16122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H13BrN4O2/c1-7-12(8(2)16-15-7)14-6-9-3-4-10(13)11(5-9)17(18)19/h3-5,14H,6H2,1-2H3,(H,15,16)