2,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-propan-2-yl-pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-propan-2-yl-pyrrole-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H21N3O4/c1-10(2)19-11(3)7-15(12(19)4)17(22)18-9-13-8-14(20(23)24)5-6-16(13)21/h5-8,10,21H,9H2,1-4H3,(H,18,22)