ethyl 4-[2-(aminocarbonylamino)propanoylamino]-3-bromanyl-benzoate

Systemtic Name: ethyl 4-[2-(aminocarbonylamino)propanoylamino]-3-bromanyl-benzoate Openeye Name: ethyl 3-bromo-4-(2-ureidopropanoylamino)benzoate CAS Name: 3-bromo-4-[[2-(carbamoylamino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(carbamoylamino)propanoylamino]benzoate Traditional Name: 3-bromo-4-(2-ureidopropanoylamino)benzoic acid ethyl ester Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)N)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)N)Br

InChI

InChI=1S/C13H16BrN3O4/c1-3-21-12(19)8-4-5-10(9(14)6-8)17-11(18)7(2)16-13(15)20/h4-7H,3H2,1-2H3,(H,17,18)(H3,15,16,20)