(E)-4-[azanyl(phenyl)amino]-3-bromanyl-4-oxidanyl-but-3-en-2-one; copper

Systemtic Name: (E)-4-[azanyl(phenyl)amino]-3-bromanyl-4-oxidanyl-but-3-en-2-one; copper Openeye Name: (E)-4-(N-aminoanilino)-3-bromo-4-hydroxy-but-3-en-2-one; copper CAS Name: (E)-4-(N-aminoanilino)-3-bromo-4-hydroxy-3-buten-2-one; copper IUPAC Name: (E)-4-(N-aminoanilino)-3-bromo-4-hydroxybut-3-en-2-one; copper Traditional Name: (E)-4-(N-aminoanilino)-3-bromo-4-hydroxy-but-3-en-2-one; copper Formula: C20H22Br2CuN4O4 MolecularWeight: 605.76708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C1=CC=CC=C1)N)O)Br.CC(=O)C(=C(N(C1=CC=CC=C1)N)O)Br.[Cu]

Isomeric SMILES

CC(=O)/C(=C(\O)/N(N)C1=CC=CC=C1)/Br.CC(=O)/C(=C(\O)/N(N)C1=CC=CC=C1)/Br.[Cu]

InChI

InChI=1S/2C10H11BrN2O2.Cu/c2*1-7(14)9(11)10(15)13(12)8-5-3-2-4-6-8;/h2*2-6,15H,12H2,1H3;/b2*10-9+;