furan-2-ylmethylidene-[(1R,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: furan-2-ylmethylidene-[(1R,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: 2-furylmethylene-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-(2-furanylmethylidene)ammonium IUPAC Name: [(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-(furan-2-ylmethylidene)azanium Traditional Name: 2-furfurylidene-[(1S,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]ammonium Formula: C14H15N2O5+ MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=[NH+]C(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=COC(=C1)C=[NH+][C@@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H14N2O5/c17-9-13(15-8-12-2-1-7-21-12)14(18)10-3-5-11(6-4-10)16(19)20/h1-8,13-14,17-18H,9H2/p+1/t13-,14+/m0/s1