2-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]ethanol

Systemtic Name: 2-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]ethanol Openeye Name: 2-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]ethanol CAS Name: 2-[3-bromo-4-nitro-5-[(phenylmethyl)amino]-1-pyrazolyl]ethanol IUPAC Name: 2-[5-(benzylamino)-3-bromo-4-nitropyrazol-1-yl]ethanol Traditional Name: 2-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]ethanol Formula: C12H13BrN4O3 MolecularWeight: 341.16062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NN2CCO)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NN2CCO)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H13BrN4O3/c13-11-10(17(19)20)12(16(15-11)6-7-18)14-8-9-4-2-1-3-5-9/h1-5,14,18H,6-8H2