[(3S)-3-ethoxycarbonylhex-5-en-2-ylidene]-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: [(3S)-3-ethoxycarbonylhex-5-en-2-ylidene]-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-ethoxycarbonyl-1-methyl-pent-4-enylidene]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [(3S)-3-ethoxycarbonylhex-5-en-2-ylidene]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium IUPAC Name: [(3S)-3-ethoxycarbonylhex-5-en-2-ylidene]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-carbethoxy-1-methyl-pent-4-enylidene]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)C(=[NH+]CC(C1=CC=C(C=C1)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC(=O)[C@@H](CC=C)C(=[NH+]C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H22N2O5/c1-4-6-15(17(21)24-5-2)12(3)18-11-16(20)13-7-9-14(10-8-13)19(22)23/h4,7-10,15-16,20H,1,5-6,11H2,2-3H3/p+1/t15-,16-/m0/s1