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

Systemtic Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(1-ethyl-2-benzimidazolyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H21N5O5/c1-2-24-16-7-4-3-6-15(16)23-19(24)13-22-20(27)8-5-11-25-17-10-9-14(26(29)30)12-18(17)31-21(25)28/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,22,27)