[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H23BrN2O6 MolecularWeight: 431.27832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C(C)C)C(=O)NC(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C(C)C)C(=O)NC(=O)N)OC

InChI

InChI=1S/C17H23BrN2O6/c1-5-6-25-14-11(18)7-10(8-12(14)24-4)16(22)26-13(9(2)3)15(21)20-17(19)23/h7-9,13H,5-6H2,1-4H3,(H3,19,20,21,23)