methyl 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(CO)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(CO)C(=O)OC)Br

InChI

InChI=1S/C14H16BrNO4/c1-9-3-4-10(11(15)7-9)5-6-13(18)16-12(8-17)14(19)20-2/h3-7,12,17H,8H2,1-2H3,(H,16,18)/b6-5+