(3E)-3-[[(4-carboxycyclohexyl)methylamino]methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3E)-3-[[(4-carboxycyclohexyl)methylamino]methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3E)-3-[[(4-carboxycyclohexyl)methylamino]methylene]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-3-[[(4-carboxycyclohexyl)methylamino]methylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-3-[[(4-carboxycyclohexyl)methylamino]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3E)-3-[[(4-carboxycyclohexyl)methylamino]methylene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CN/C=C/2\C=CC(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c18-14-6-3-11(7-13(14)16(21)22)9-17-8-10-1-4-12(5-2-10)15(19)20/h3,6-7,9-10,12,17H,1-2,4-5,8H2,(H,19,20)(H,21,22)/b11-9+