3-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]propanoate

Systemtic Name: 3-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]propanoate Openeye Name: 3-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]propanoate CAS Name: 3-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]propanoate IUPAC Name: 3-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]propanoate Traditional Name: 3-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]propionate Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]CCC(=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]CCC(=O)[O-])O

InChI

InChI=1S/C15H17NO5/c1-2-9-7-14(20)21-15-10(9)3-4-12(17)11(15)8-16-6-5-13(18)19/h3-4,7,16-17H,2,5-6,8H2,1H3,(H,18,19)