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

Systemtic Name: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propionate Formula: C15H15N2O6- MolecularWeight: 319.2894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9(18)17-11(15(21)16-5-4-14(19)20)6-10-2-3-12-13(7-10)23-8-22-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)/p-1/b11-6+