5-[[(Z)-[(2S)-6-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(Z)-[(2S)-6-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[[(Z)-[(2S)-2-hydroxy-6-methyl-4-oxo-chroman-3-ylidene]methyl]amino]benzoate CAS Name: 2-hydroxy-5-[[(Z)-[(2S)-2-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[[(Z)-[(2S)-2-hydroxy-6-methyl-4-oxochromen-3-ylidene]methyl]amino]benzoate Traditional Name: 2-hydroxy-5-[[(Z)-[(2S)-2-hydroxy-4-keto-6-methyl-chroman-3-ylidene]methyl]amino]benzoate Formula: C18H14NO6- MolecularWeight: 340.30686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=CNC3=CC(=C(C=C3)O)C(=O)[O-])C2=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](/C(=C/NC3=CC(=C(C=C3)O)C(=O)[O-])/C2=O)O

InChI

InChI=1S/C18H15NO6/c1-9-2-5-15-12(6-9)16(21)13(18(24)25-15)8-19-10-3-4-14(20)11(7-10)17(22)23/h2-8,18-20,24H,1H3,(H,22,23)/p-1/b13-8+/t18-/m0/s1