(3Z)-3-[[[(1R,2R)-2-azanylcyclohexyl]amino]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[[[(1R,2R)-2-azanylcyclohexyl]amino]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (3Z)-3-[[[(1R,2R)-2-aminocyclohexyl]amino]methylene]-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (3Z)-3-[[[(1R,2R)-2-aminocyclohexyl]amino]methylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (3Z)-3-[[[(1R,2R)-2-aminocyclohexyl]amino]methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (3Z)-3-[[[(1R,2R)-2-aminocyclohexyl]amino]methylene]-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC=C2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)N)N/C=C\2/C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C14H18N2O3/c15-11-3-1-2-4-12(11)16-8-10-7-9(14(18)19)5-6-13(10)17/h5-8,11-12,16H,1-4,15H2,(H,18,19)/b10-8-/t11-,12-/m1/s1