2-aminocarbonyl-3-[(3-methoxy-4,5-dihydro-1,2-oxazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-aminocarbonyl-3-[(3-methoxy-4,5-dihydro-1,2-oxazol-4-yl)carbamoyl]benzoic acid Openeye Name: 2-carbamoyl-3-[(3-methoxy-4,5-dihydroisoxazol-4-yl)carbamoyl]benzoic acid CAS Name: 2-carbamoyl-3-[[(3-methoxy-4,5-dihydroisoxazol-4-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-carbamoyl-3-[(3-methoxy-4,5-dihydro-1,2-oxazol-4-yl)carbamoyl]benzoic acid Traditional Name: 2-carbamoyl-3-[(3-methoxy-2-isoxazolin-4-yl)carbamoyl]benzoic acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NOCC1NC(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)N

Isomeric SMILES

COC1=NOCC1NC(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C13H13N3O6/c1-21-12-8(5-22-16-12)15-11(18)6-3-2-4-7(13(19)20)9(6)10(14)17/h2-4,8H,5H2,1H3,(H2,14,17)(H,15,18)(H,19,20)