3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-bromanyl-2-ethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(4-bromo-2-ethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[(4-bromo-2-ethylphenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[(4-bromo-2-ethyl-benzyl)amino]-4-ethoxy-cyclobut-3-ene-1,2-quinone Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)CNC2=C(C(=O)C2=O)OCC

InChI

InChI=1S/C15H16BrNO3/c1-3-9-7-11(16)6-5-10(9)8-17-12-13(18)14(19)15(12)20-4-2/h5-7,17H,3-4,8H2,1-2H3