[2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C=CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CNC(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H14BrNO5/c1-15-11(16)7-20-12(17)4-3-8-5-9(14)13(18)10(6-8)19-2/h3-6,18H,7H2,1-2H3,(H,15,16)/b4-3+