(2S)-1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]pyrrolidine-2-carboxylate Formula: C17H15ClNO6- MolecularWeight: 364.7571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C17H16ClNO6/c1-8-9-5-11(18)13(20)7-14(9)25-17(24)10(8)6-15(21)19-4-2-3-12(19)16(22)23/h5,7,12,20H,2-4,6H2,1H3,(H,22,23)/p-1/t12-/m0/s1