(E)-4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-keto-but-2-enoic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO6/c1-7(15)8-4-10-11(20-6-19-10)5-9(8)14-12(16)2-3-13(17)18/h2-5H,6H2,1H3,(H,14,16)(H,17,18)/b3-2+