N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]butyramide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-14-5-8-18(29-2)15(12-14)9-10-22-20(25)4-3-11-23-17-7-6-16(24(27)28)13-19(17)30-21(23)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,25)