(2S,3S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C13H13N2O6- MolecularWeight: 293.25212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-8(16)12(13(18)19)14-11(17)6-5-9-3-2-4-10(7-9)15(20)21/h2-8,12,16H,1H3,(H,14,17)(H,18,19)/p-1/b6-5+/t8-,12-/m0/s1