(E)-3-azanyl-2-(2-bromophenyl)-4-butan-2-yloxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-3-azanyl-2-(2-bromophenyl)-4-butan-2-yloxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-amino-2-(2-bromophenyl)-4-oxo-4-sec-butoxy-but-2-enoic acid CAS Name: (E)-3-amino-2-(2-bromophenyl)-4-butan-2-yloxy-4-oxo-2-butenoic acid IUPAC Name: (E)-3-amino-2-(2-bromophenyl)-4-butan-2-yloxy-4-oxobut-2-enoic acid Traditional Name: (E)-3-amino-2-(2-bromophenyl)-4-keto-4-sec-butoxy-but-2-enoic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(=C(C1=CC=CC=C1Br)C(=O)O)N

Isomeric SMILES

CCC(C)OC(=O)/C(=C(/C1=CC=CC=C1Br)\C(=O)O)/N

InChI

InChI=1S/C14H16BrNO4/c1-3-8(2)20-14(19)12(16)11(13(17)18)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,18)/b12-11+