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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C20H21N3O5/c1-3-14-7-4-6-13(2)19(14)21-18(24)8-5-11-22-16-10-9-15(23(26)27)12-17(16)28-20(22)25/h4,6-7,9-10,12H,3,5,8,11H2,1-2H3,(H,21,24)