3-bromanyl-4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]-5-methoxy-benzoic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2Br)C(=O)O)OC

Isomeric SMILES

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2Br)C(=O)O)OC

InChI

InChI=1S/C14H16BrNO5/c1-7(13(17)16-9-3-4-9)21-12-10(15)5-8(14(18)19)6-11(12)20-2/h5-7,9H,3-4H2,1-2H3,(H,16,17)(H,18,19)