4-nitro-N-(2-oxidanyl-2-phenyl-ethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-nitro-N-(2-oxidanyl-2-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: N-(2-hydroxy-2-phenyl-ethyl)-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-(2-hydroxy-2-phenylethyl)-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-hydroxy-2-phenylethyl)-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-(2-hydroxy-2-phenyl-ethyl)-4-nitro-1H-pyrrole-2-carboxamide Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CN2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CN2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)8-15-13(18)11-6-10(7-14-11)16(19)20/h1-7,12,14,17H,8H2,(H,15,18)