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

Systemtic Name: N-[(2S)-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[(2-hydroxy-5-nitro-benzyl)amino]-2-keto-ethyl]-2-furamide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H19N3O6/c25-18-9-8-16(24(28)29)12-15(18)13-22-20(26)17(11-14-5-2-1-3-6-14)23-21(27)19-7-4-10-30-19/h1-10,12,17,25H,11,13H2,(H,22,26)(H,23,27)/t17-/m0/s1