(E)-4-[(3-bromophenyl)methyl-ethyl-amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[(3-bromophenyl)methyl-ethyl-amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(3-bromophenyl)methyl-ethyl-amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(3-bromophenyl)methyl-ethylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(3-bromophenyl)methyl-ethylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-bromobenzyl)-ethyl-amino]-4-keto-but-2-enoate Formula: C13H13BrNO3- MolecularWeight: 311.15122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)Br)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)Br)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H14BrNO3/c1-2-15(12(16)6-7-13(17)18)9-10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3,(H,17,18)/p-1/b7-6+