(E)-5-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-5-oxo-pent-2-enoic acid CAS Name: (E)-5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-5-oxopent-2-enoic acid Traditional Name: (E)-5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-5-keto-pent-2-enoic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CC=CC(=O)O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C/C=C/C(=O)O)OCO2

InChI

InChI=1S/C14H13NO6/c1-8(16)9-5-11-12(21-7-20-11)6-10(9)15-13(17)3-2-4-14(18)19/h2,4-6H,3,7H2,1H3,(H,15,17)(H,18,19)/b4-2+