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

Systemtic Name: (2S)-3-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]butyric acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-9(2)13(14(18)19)15-12(17)8-5-10-3-6-11(7-4-10)16(20)21/h3-9,13H,1-2H3,(H,15,17)(H,18,19)/b8-5+/t13-/m0/s1