4-azanyl-3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 4-azanyl-3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 4-amino-3-[2-(ethylamino)-1-methyl-2-oxo-ethoxy]benzoic acid CAS Name: 4-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 4-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 4-amino-3-[2-(ethylamino)-2-keto-1-methyl-ethoxy]benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

Isomeric SMILES

CCNC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

InChI

InChI=1S/C12H16N2O4/c1-3-14-11(15)7(2)18-10-6-8(12(16)17)4-5-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15)(H,16,17)