4-[[3,4-bis(oxidanyl)-2-oxidanylidene-butyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3,4-bis(oxidanyl)-2-oxidanylidene-butyl]amino]benzenecarbonitrile Openeye Name: 4-[(3,4-dihydroxy-2-oxo-butyl)amino]benzonitrile CAS Name: 4-[(3,4-dihydroxy-2-oxobutyl)amino]benzonitrile IUPAC Name: 4-[(3,4-dihydroxy-2-oxobutyl)amino]benzonitrile Traditional Name: 4-[(3,4-dihydroxy-2-keto-butyl)amino]benzonitrile Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NCC(=O)C(CO)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NCC(=O)C(CO)O

InChI

InChI=1S/C11H12N2O3/c12-5-8-1-3-9(4-2-8)13-6-10(15)11(16)7-14/h1-4,11,13-14,16H,6-7H2