methyl (2S)-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]propionic acid methyl ester Formula: C15H16N2O8 MolecularWeight: 352.29614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O8/c1-23-15(20)12(6-18)16-13(19)3-2-9-4-11(17(21)22)5-10-7-24-8-25-14(9)10/h2-5,12,18H,6-8H2,1H3,(H,16,19)/b3-2+/t12-/m0/s1