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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c15-7-10(12(17)18)13-11(16)5-4-8-2-1-3-9(6-8)14(19)20/h1-6,10,15H,7H2,(H,13,16)(H,17,18)/b5-4+/t10-/m0/s1