(2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid CAS Name: (2S)-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]propionic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5/c1-8(12(16)17)13-11(15)7-4-9-2-5-10(6-3-9)14(18)19/h2-8H,1H3,(H,13,15)(H,16,17)/b7-4+/t8-/m0/s1