(3S)-3-azaniumyl-2-[(3-nitrophenyl)methyl]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-2-[(3-nitrophenyl)methyl]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-4-hydroxy-2-[(3-nitrophenyl)methyl]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-hydroxy-2-[(3-nitrophenyl)methyl]-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-4-hydroxy-2-[(3-nitrophenyl)methyl]-4-oxobutanoate Traditional Name: (3S)-3-ammonio-4-hydroxy-4-keto-2-(3-nitrobenzyl)butyrate Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC(C(C(=O)O)[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC([C@@H](C(=O)O)[NH3+])C(=O)[O-]

InChI

InChI=1S/C11H12N2O6/c12-9(11(16)17)8(10(14)15)5-6-2-1-3-7(4-6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8?,9-/m0/s1