4-[[(E)-(6-chloranyl-4-oxidanylidene-2-propoxy-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(E)-(6-chloranyl-4-oxidanylidene-2-propoxy-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[(E)-(6-chloro-4-oxo-2-propoxy-chroman-3-ylidene)methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[(E)-(6-chloro-4-oxo-2-propoxy-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[(E)-(6-chloro-4-oxo-2-propoxychromen-3-ylidene)methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[(E)-(6-chloro-4-keto-2-propoxy-chroman-3-ylidene)methyl]amino]-2-hydroxy-benzoic acid Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=C(O1)C=CC(=C3)Cl

Isomeric SMILES

CCCOC1/C(=C\NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO6/c1-2-7-27-20-15(18(24)14-8-11(21)3-6-17(14)28-20)10-22-12-4-5-13(19(25)26)16(23)9-12/h3-6,8-10,20,22-23H,2,7H2,1H3,(H,25,26)/b15-10-