N-(2,6-diethylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2,6-diethylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(2,6-diethylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2,6-diethylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(2,6-diethylphenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H23N3O5/c1-3-14-7-5-8-15(4-2)20(14)22-19(25)9-6-12-23-17-11-10-16(24(27)28)13-18(17)29-21(23)26/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3,(H,22,25)