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4-[7-(dimethylamino)-4-oxidanylidene-2,3-dihydrochromen-3-yl]benzoic acid

4-[7-(dimethylamino)-4-oxidanylidene-2,3-dihydrochromen-3-yl]benzoic acid

Systemtic Name:4-[7-(dimethylamino)-4-oxidanylidene-2,3-dihydrochromen-3-yl]benzoic acid
Openeye Name:4-[7-(dimethylamino)-4-oxo-chroman-3-yl]benzoic acid
CAS Name:4-[7-(dimethylamino)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]benzoic acid
IUPAC Name:4-[7-(dimethylamino)-4-oxo-2,3-dihydrochromen-3-yl]benzoic acid
Traditional Name:4-[7-(dimethylamino)-4-keto-chroman-3-yl]benzoic acid
Formula: C18H17NO4
MolecularWeight: 311.33188
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=O)C(CO2)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=O)C(CO2)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C18H17NO4/c1-19(2)13-7-8-14-16(9-13)23-10-15(17(14)20)11-3-5-12(6-4-11)18(21)22/h3-9,15H,10H2,1-2H3,(H,21,22)


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