4-[2-(aminocarbonylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-5-ethoxy-benzoic acid

Systemtic Name: 4-[2-(aminocarbonylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-5-ethoxy-benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(2-oxo-2-ureido-ethoxy)benzoic acid CAS Name: 3-bromo-4-[2-(carbamoylamino)-2-oxoethoxy]-5-ethoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(carbamoylamino)-2-oxoethoxy]-5-ethoxybenzoic acid Traditional Name: 3-bromo-5-ethoxy-4-(2-keto-2-ureido-ethoxy)benzoic acid Formula: C12H13BrN2O6 MolecularWeight: 361.14542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NC(=O)N

InChI

InChI=1S/C12H13BrN2O6/c1-2-20-8-4-6(11(17)18)3-7(13)10(8)21-5-9(16)15-12(14)19/h3-4H,2,5H2,1H3,(H,17,18)(H3,14,15,16,19)