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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=NN2C(CCBr)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=NN2C(CCBr)O)[N+](=O)[O-]

InChI

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