1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione

Systemtic Name: 1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione Openeye Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione CAS Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione IUPAC Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione Traditional Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-quinone Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)OC2=O)CCCCOC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)OC2=O)CCCCOC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C21H22ClNO4/c1-13-6-7-18-17(10-13)20(24)27-21(25)23(18)8-4-5-9-26-16-11-14(2)19(22)15(3)12-16/h6-7,10-12H,4-5,8-9H2,1-3H3