(4Z)-4-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(oxidanylamino)butanoic acid hydrate

Systemtic Name: (4Z)-4-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(oxidanylamino)butanoic acid hydrate Openeye Name: (4Z)-4-(hydroxyamino)-4-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)butanoic acid hydrate CAS Name: (4Z)-4-(hydroxyamino)-4-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)butanoic acid hydrate IUPAC Name: (4Z)-4-(hydroxyamino)-4-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)butanoic acid hydrate Traditional Name: (4Z)-4-(hydroxyamino)-4-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)butyric acid hydrate Formula: C11H15NO5 MolecularWeight: 241.2405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(CCC(=O)O)NO)C(=O)C=C1.O

Isomeric SMILES

CC1=C/C(=C(\CCC(=O)O)/NO)/C(=O)C=C1.O

InChI

InChI=1S/C11H13NO4.H2O/c1-7-2-4-10(13)8(6-7)9(12-16)3-5-11(14)15;/h2,4,6,12,16H,3,5H2,1H3,(H,14,15);1H2/b9-8-;