(E)-4-[[2,5-bis(bromanyl)phenyl]amino]-3-isocyano-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-[[2,5-bis(bromanyl)phenyl]amino]-3-isocyano-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-(2,5-dibromoanilino)-4-hydroxy-3-isocyano-but-3-en-2-one CAS Name: (E)-4-(2,5-dibromoanilino)-4-hydroxy-3-isocyano-3-buten-2-one IUPAC Name: (E)-4-(2,5-dibromoanilino)-4-hydroxy-3-isocyanobut-3-en-2-one Traditional Name: (E)-4-(2,5-dibromoanilino)-4-hydroxy-3-isocyano-but-3-en-2-one Formula: C11H8Br2N2O2 MolecularWeight: 360.00142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(C=CC(=C1)Br)Br)O)[N+]#[C-]

Isomeric SMILES

CC(=O)/C(=C(/NC1=C(C=CC(=C1)Br)Br)\O)/[N+]#[C-]

InChI

InChI=1S/C11H8Br2N2O2/c1-6(16)10(14-2)11(17)15-9-5-7(12)3-4-8(9)13/h3-5,15,17H,1H3/b11-10+