4-bromanyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-bromanyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitro-aniline Openeye Name: 4-bromo-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitro-aniline CAS Name: 4-bromo-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitroaniline IUPAC Name: 4-bromo-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitroaniline Traditional Name: (4-bromo-2-nitro-phenyl)-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine Formula: C12H13BrN4O2 MolecularWeight: 325.16122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

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