3-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]propan-1-ol

Systemtic Name: 3-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]propan-1-ol Openeye Name: 3-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]propan-1-ol CAS Name: 3-[3-bromo-4-nitro-5-[(phenylmethyl)amino]-1-pyrazolyl]-1-propanol IUPAC Name: 3-[5-(benzylamino)-3-bromo-4-nitropyrazol-1-yl]propan-1-ol Traditional Name: 3-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]propan-1-ol Formula: C13H15BrN4O3 MolecularWeight: 355.1872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NN2CCCO)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NN2CCCO)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN4O3/c14-12-11(18(20)21)13(17(16-12)7-4-8-19)15-9-10-5-2-1-3-6-10/h1-3,5-6,15,19H,4,7-9H2