[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NCC2=CC=CO2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H16BrNO5/c1-22-15-6-5-13(18)9-12(15)4-7-17(21)24-11-16(20)19-10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,19,20)/b7-4+