3-[6,8-bis(chloranyl)-7-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[6,8-bis(chloranyl)-7-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-(6,8-dichloro-2-isopropyl-7-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(6,8-dichloro-7-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(6,8-dichloro-7-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(6,8-dichloro-2-isopropyl-3-keto-7-methyl-1,4-benzoxazin-4-yl)propionic acid Formula: C15H17Cl2NO4 MolecularWeight: 346.20578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Cl)OC(C(=O)N2CCC(=O)O)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1Cl)OC(C(=O)N2CCC(=O)O)C(C)C)Cl

InChI

InChI=1S/C15H17Cl2NO4/c1-7(2)13-15(21)18(5-4-11(19)20)10-6-9(16)8(3)12(17)14(10)22-13/h6-7,13H,4-5H2,1-3H3,(H,19,20)