3-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid CAS Name: 3-(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-chloro-2-keto-3H-1,3-benzoxazol-6-yl)propionic acid Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC3=C(C=C2Cl)NC(=O)O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC3=C(C=C2Cl)NC(=O)O3)C(=O)O

InChI

InChI=1S/C18H15ClN2O6/c19-12-8-13-15(27-18(25)20-13)7-11(12)6-14(16(22)23)21-17(24)26-9-10-4-2-1-3-5-10/h1-5,7-8,14H,6,9H2,(H,20,25)(H,21,24)(H,22,23)