(E)-4-[5-chloranyl-1-(dimethylcarbamoyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5-chloranyl-1-(dimethylcarbamoyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-chloro-1-(dimethylcarbamoyl)indol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-chloro-1-[dimethylamino(oxo)methyl]-3-indolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-chloro-1-(dimethylcarbamoyl)indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-chloro-1-(dimethylcarbamoyl)indol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H13ClN2O5 MolecularWeight: 336.72712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C1C=CC(=C2)Cl)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C1C=CC(=C2)Cl)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H13ClN2O5/c1-17(2)15(23)18-7-10(12(19)6-13(20)14(21)22)9-5-8(16)3-4-11(9)18/h3-7,19H,1-2H3,(H,21,22)/b12-6+