(2S)-2-[[(Z)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(Z)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(Z)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[[(Z)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]ammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[[(Z)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]azaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[[(Z)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]-4-methyl-valerate Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO4/c1-9(2)5-13(15(20)21)17-12(8-18)7-10-6-11(16)3-4-14(10)19/h3-4,6-9,13,17,19H,5H2,1-2H3,(H,20,21)/b12-7-/t13-/m0/s1