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

Systemtic Name: 2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]acetate Formula: C14H13N2O6- MolecularWeight: 305.26282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-8(17)16-10(14(20)15-6-13(18)19)4-9-2-3-11-12(5-9)22-7-21-11/h2-5H,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)/p-1/b10-4+