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

Systemtic Name: (2S)-3-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C14H15N2O5- MolecularWeight: 291.2793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-9(2)13(14(18)19)15-12(17)7-6-10-4-3-5-11(8-10)16(20)21/h3-9,13H,1-2H3,(H,15,17)(H,18,19)/p-1/b7-6+/t13-/m0/s1