(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2-methyl-3-oxidanylidene-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2-methyl-3-oxidanylidene-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-3-oxo-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(2-methyl-3-oxo-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-3-oxo-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(3-keto-2-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-4-yl)phenyl]propionic acid Formula: C23H19Cl2N3O6 MolecularWeight: 504.31946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2C(=N1)OCCO2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CN1C(=O)C(=C2C(=N1)OCCO2)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C23H19Cl2N3O6/c1-28-22(30)17(19-21(27-28)34-10-9-33-19)13-7-5-12(6-8-13)11-16(23(31)32)26-20(29)18-14(24)3-2-4-15(18)25/h2-8,16H,9-11H2,1H3,(H,26,29)(H,31,32)/t16-/m0/s1