(Z)-2-(1-oxidanylideneindol-1-ium-4-yl)but-2-enedioic acid

Systemtic Name: (Z)-2-(1-oxidanylideneindol-1-ium-4-yl)but-2-enedioic acid Openeye Name: (Z)-2-(1-oxoindol-1-ium-4-yl)but-2-enedioic acid CAS Name: (Z)-2-(1-oxo-4-indol-1-iumyl)-2-butenedioic acid IUPAC Name: (Z)-2-(1-oxoindol-1-ium-4-yl)but-2-enedioic acid Traditional Name: (Z)-2-(1-ketoindol-1-ium-4-yl)but-2-enedioic acid Formula: C12H8NO5+ MolecularWeight: 246.19562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C[N+](=O)C2=C1)C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C=C[N+](=O)C2=C1)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C12H7NO5/c14-11(15)6-9(12(16)17)7-2-1-3-10-8(7)4-5-13(10)18/h1-6H,(H-,14,15,16,17)/p+1/b9-6-