4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-4-oxo-butanoate CAS Name: 4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-4-oxobutanoate IUPAC Name: 4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-4-keto-butyrate Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCC(=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCC(=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C14H17NO5/c1-8-6-14(19)20-11-7-9(2-3-10(8)11)15-12(16)4-5-13(17)18/h6,11,19H,2-5,7H2,1H3,(H,17,18)