(2S)-2-[[(Z)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(Z)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[[(Z)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[[(Z)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[[(Z)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[[(Z)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]-3-methyl-butyrate Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]C(=CC1=C(C=CC(=C1)Cl)O)C=O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH2+]/C(=C\C1=C(C=CC(=C1)Cl)O)/C=O

InChI

InChI=1S/C14H16ClNO4/c1-8(2)13(14(19)20)16-11(7-17)6-9-5-10(15)3-4-12(9)18/h3-8,13,16,18H,1-2H3,(H,19,20)/b11-6-/t13-/m0/s1