3-azanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid

Systemtic Name: 3-azanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-(isopropylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-amino-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid Traditional Name: 3-amino-4-[2-(isopropylamino)-2-keto-ethoxy]benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C12H16N2O4/c1-7(2)14-11(15)6-18-10-4-3-8(12(16)17)5-9(10)13/h3-5,7H,6,13H2,1-2H3,(H,14,15)(H,16,17)