(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-hydroxy-propionate Formula: C13H12NO6- MolecularWeight: 278.23748

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C13H13NO6/c15-6-9(13(17)18)14-12(16)4-2-8-1-3-10-11(5-8)20-7-19-10/h1-5,9,15H,6-7H2,(H,14,16)(H,17,18)/p-1/b4-2+/t9-/m0/s1