4-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]methyl]cyclohexanecarboxylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c17-14-7-3-12(4-8-14)10-16-9-11-1-5-13(6-2-11)15(18)19/h3-4,7-8,10-11,13,16H,1-2,5-6,9H2,(H,18,19)