3-[(Z)-3-acetamido-1-oxidanyl-1-oxidanylidene-but-2-en-2-yl]-1-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 3-[(Z)-3-acetamido-1-oxidanyl-1-oxidanylidene-but-2-en-2-yl]-1-oxidanyl-indole-2-carboxylic acid Openeye Name: 3-[(Z)-2-acetamido-1-carboxy-prop-1-enyl]-1-hydroxy-indole-2-carboxylic acid CAS Name: 3-[(Z)-3-acetamido-1-hydroxy-1-oxobut-2-en-2-yl]-1-hydroxy-2-indolecarboxylic acid IUPAC Name: 3-[(Z)-3-acetamido-1-hydroxy-1-oxobut-2-en-2-yl]-1-hydroxyindole-2-carboxylic acid Traditional Name: 3-[(Z)-2-acetamido-1-carboxy-prop-1-enyl]-1-hydroxy-indole-2-carboxylic acid Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C(N(C2=CC=CC=C21)O)C(=O)O)C(=O)O)NC(=O)C

Isomeric SMILES

C/C(=C(\C1=C(N(C2=CC=CC=C21)O)C(=O)O)/C(=O)O)/NC(=O)C

InChI

InChI=1S/C15H14N2O6/c1-7(16-8(2)18)11(14(19)20)12-9-5-3-4-6-10(9)17(23)13(12)15(21)22/h3-6,23H,1-2H3,(H,16,18)(H,19,20)(H,21,22)/b11-7-