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

Systemtic Name: 2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]acetic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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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)NC(=CC1=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)