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

Systemtic Name: 2-[3-bromanyl-4-nitro-5-[(phenylmethyl)amino]pyrazol-1-yl]ethylcarbamic acid Openeye Name: 2-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]ethylcarbamic acid CAS Name: 2-[3-bromo-4-nitro-5-[(phenylmethyl)amino]-1-pyrazolyl]ethylcarbamic acid IUPAC Name: 2-[5-(benzylamino)-3-bromo-4-nitropyrazol-1-yl]ethylcarbamic acid Traditional Name: 2-[5-(benzylamino)-3-bromo-4-nitro-pyrazol-1-yl]ethylcarbamic acid Formula: C13H14BrN5O4 MolecularWeight: 384.18536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NN2CCNC(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NN2CCNC(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrN5O4/c14-11-10(19(22)23)12(16-8-9-4-2-1-3-5-9)18(17-11)7-6-15-13(20)21/h1-5,15-16H,6-8H2,(H,20,21)