N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(4-bromophenoxy)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-methyl-butyramide Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H20BrN3O6/c1-22(11-12-29-16-7-4-14(21)5-8-16)19(25)3-2-10-23-17-9-6-15(24(27)28)13-18(17)30-20(23)26/h4-9,13H,2-3,10-12H2,1H3