[(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1R)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C22H21N3O5/c1-14(26)16-7-3-5-9-18(16)24-22(29)15(2)30-21(28)11-12-25-19-10-6-4-8-17(19)20(27)13-23-25/h3-10,13,15H,11-12H2,1-2H3,(H,24,29)/t15-/m1/s1