(2S)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(E)-3-(2-nitrophenyl)acryloyl]amino]propionic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c15-7-9(12(17)18)13-11(16)6-5-8-3-1-2-4-10(8)14(19)20/h1-6,9,15H,7H2,(H,13,16)(H,17,18)/b6-5+/t9-/m0/s1