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

Systemtic Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C25H21N5O5 MolecularWeight: 471.46474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C25H21N5O5/c31-23(7-4-12-29-21-11-9-18(30(33)34)14-22(21)35-25(29)32)28-24(16-5-2-1-3-6-16)17-8-10-19-20(13-17)27-15-26-19/h1-3,5-6,8-11,13-15,24H,4,7,12H2,(H,26,27)(H,28,31)