4-[[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC=C2C=CC=CC2=O)C(=O)O

Isomeric SMILES

C1CC(CCC1CN/C=C/2\C=CC=CC2=O)C(=O)O

InChI

InChI=1S/C15H19NO3/c17-14-4-2-1-3-13(14)10-16-9-11-5-7-12(8-6-11)15(18)19/h1-4,10-12,16H,5-9H2,(H,18,19)/b13-10+