[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C13H12BrFN2O4 MolecularWeight: 359.147783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)OCC(=O)NCC(=O)N)F

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)OCC(=O)NCC(=O)N)F

InChI

InChI=1S/C13H12BrFN2O4/c14-9-2-3-10(15)8(5-9)1-4-13(20)21-7-12(19)17-6-11(16)18/h1-5H,6-7H2,(H2,16,18)(H,17,19)/b4-1+