(Z)-2-(1-oxidanylideneindol-1-ium-4-yl)but-2-enedioate

Systemtic Name: (Z)-2-(1-oxidanylideneindol-1-ium-4-yl)but-2-enedioate Openeye Name: (Z)-2-(1-oxoindol-1-ium-4-yl)but-2-enedioate CAS Name: (Z)-2-(1-oxo-4-indol-1-iumyl)-2-butenedioate IUPAC Name: (Z)-2-(1-oxoindol-1-ium-4-yl)but-2-enedioate Traditional Name: (Z)-2-(1-ketoindol-1-ium-4-yl)but-2-enedioate Formula: C12H6NO5- MolecularWeight: 244.17974

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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-