diazanium (4Z)-4-hydroxyimino-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioate

Systemtic Name: diazanium (4Z)-4-hydroxyimino-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioate Openeye Name: diammonium (4Z)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioate CAS Name: diammonium (4Z)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioate IUPAC Name: diazanium (4Z)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioate Traditional Name: diammonium (4Z)-4-hydroximino-2-hydroxy-2-(1H-indol-3-ylmethyl)glutarate Formula: C14H20N4O6 MolecularWeight: 340.3318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC(=NO)C(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C/C(=N/O)/C(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+]

InChI

InChI=1S/C14H14N2O6.2H3N/c17-12(18)11(16-22)6-14(21,13(19)20)5-8-7-15-10-4-2-1-3-9(8)10;;/h1-4,7,15,21-22H,5-6H2,(H,17,18)(H,19,20);2*1H3/b16-11-;;