4-[[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]amino]benzoate CAS Name: 2-hydroxy-4-[[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]amino]benzoate IUPAC Name: 2-hydroxy-4-[[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]amino]benzoate Traditional Name: 2-hydroxy-4-[[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]amino]benzoate Formula: C15H16NO4- MolecularWeight: 274.29184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CNC2=CC(=C(C=C2)C(=O)[O-])O)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\NC2=CC(=C(C=C2)C(=O)[O-])O)/C1=O

InChI

InChI=1S/C15H17NO4/c1-9-3-2-4-10(14(9)18)8-16-11-5-6-12(15(19)20)13(17)7-11/h5-9,16-17H,2-4H2,1H3,(H,19,20)/p-1/b10-8+/t9-/m0/s1