N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]-2-furamide Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H19N3O6/c1-10(2)15(19-16(22)14-4-3-7-26-14)17(23)18-9-11-8-12(20(24)25)5-6-13(11)21/h3-8,10,15,21H,9H2,1-2H3,(H,18,23)(H,19,22)/t15-/m0/s1