3-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]propyl methanesulfonate

Systemtic Name: 3-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]propyl methanesulfonate Openeye Name: 3-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-bromo-4-nitro-5-[(phenylmethyl)amino]-1-pyrazolyl]propyl ester IUPAC Name: 3-[5-(benzylamino)-3-bromo-4-nitropyrazol-1-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]propyl ester Formula: C14H17BrN4O5S MolecularWeight: 433.27758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCCCN1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C14H17BrN4O5S/c1-25(22,23)24-9-5-8-18-14(12(19(20)21)13(15)17-18)16-10-11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-10H2,1H3