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

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H23N3O6/c1-14-5-3-6-15(2)20(14)29-12-10-22-19(25)7-4-11-23-17-9-8-16(24(27)28)13-18(17)30-21(23)26/h3,5-6,8-9,13H,4,7,10-12H2,1-2H3,(H,22,25)