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

Systemtic Name: 5-nitro-N-(2-oxidanyl-2-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: N-(2-hydroxy-2-phenyl-ethyl)-5-nitro-1H-pyrrole-2-carboxamide CAS Name: N-(2-hydroxy-2-phenylethyl)-5-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-hydroxy-2-phenylethyl)-5-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-(2-hydroxy-2-phenyl-ethyl)-5-nitro-1H-pyrrole-2-carboxamide Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(N2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(N2)[N+](=O)[O-])O

InChI

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