2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]-3-hydroxy-butyric acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NC(C(C)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NC(C(C)O)C(=O)O)Cl

InChI

InChI=1S/C14H16ClNO4/c1-8-3-4-10(7-11(8)15)5-6-12(18)16-13(9(2)17)14(19)20/h3-7,9,13,17H,1-2H3,(H,16,18)(H,19,20)/b6-5+