(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H17ClN2O7 MolecularWeight: 456.83258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C22H17ClN2O7/c1-12(26)24-15-3-4-16-13(8-21(28)31-18(16)10-15)11-30-20(27)6-7-25-17-5-2-14(23)9-19(17)32-22(25)29/h2-5,8-10H,6-7,11H2,1H3,(H,24,26)