ethyl (E)-4-[(2-bromanyl-3-ethoxy-3-oxidanylidene-propanoyl)-(phenylmethyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-4-[(2-bromanyl-3-ethoxy-3-oxidanylidene-propanoyl)-(phenylmethyl)amino]but-2-enoate Openeye Name: ethyl (E)-4-[benzyl-(2-bromo-3-ethoxy-3-oxo-propanoyl)amino]but-2-enoate CAS Name: (E)-4-[(2-bromo-3-ethoxy-1,3-dioxopropyl)-(phenylmethyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[benzyl-(2-bromo-3-ethoxy-3-oxopropanoyl)amino]but-2-enoate Traditional Name: (E)-4-[benzyl-(2-bromo-3-ethoxy-3-keto-propanoyl)amino]but-2-enoic acid ethyl ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN(CC1=CC=CC=C1)C(=O)C(C(=O)OCC)Br

Isomeric SMILES

CCOC(=O)/C=C/CN(CC1=CC=CC=C1)C(=O)C(C(=O)OCC)Br

InChI

InChI=1S/C18H22BrNO5/c1-3-24-15(21)11-8-12-20(13-14-9-6-5-7-10-14)17(22)16(19)18(23)25-4-2/h5-11,16H,3-4,12-13H2,1-2H3/b11-8+