3-[(4-bromanyl-2,6-dimethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(4-bromo-2,6-dimethyl-phenyl)methylamino]-4-ethoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[(4-bromo-2,6-dimethylphenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[(4-bromo-2,6-dimethylphenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[(4-bromo-2,6-dimethyl-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:

CCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2C)Br)C

InChI

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