(E)-3-[2-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-4-bromanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-4-bromanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[(2-amino-2-oxo-ethyl)-methyl-amino]-4-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[(2-amino-2-oxoethyl)-methylamino]-4-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[(2-amino-2-oxoethyl)-methylamino]-4-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[(2-amino-2-keto-ethyl)-methyl-amino]-4-bromo-phenyl]acrylic acid Formula: C12H13BrN2O3 MolecularWeight: 313.14722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N)C1=C(C=CC(=C1)Br)C=CC(=O)O

Isomeric SMILES

CN(CC(=O)N)C1=C(C=CC(=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C12H13BrN2O3/c1-15(7-11(14)16)10-6-9(13)4-2-8(10)3-5-12(17)18/h2-6H,7H2,1H3,(H2,14,16)(H,17,18)/b5-3+