methyl 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-4-cyano-2-methyl-butanoate

Systemtic Name: methyl 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-4-cyano-2-methyl-butanoate Openeye Name: methyl 4-cyano-2-[(3,4-dihydroxybenzoyl)amino]-2-methyl-butanoate CAS Name: 4-cyano-2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-2-methylbutanoic acid methyl ester IUPAC Name: methyl 4-cyano-2-[(3,4-dihydroxybenzoyl)amino]-2-methylbutanoate Traditional Name: 4-cyano-2-methyl-2-(protocatechuoylamino)butyric acid methyl ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(CCC#N)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H16N2O5/c1-14(6-3-7-15,13(20)21-2)16-12(19)9-4-5-10(17)11(18)8-9/h4-5,8,17-18H,3,6H2,1-2H3,(H,16,19)