ethyl 2-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-1-piperazinyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]-2-oxoacetate Traditional Name: 2-keto-2-[4-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)piperazino]acetic acid ethyl ester Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6/c1-4-28-16(24)15(23)21-7-5-20(6-8-21)13-9-11-12(10-14(13)22(26)27)19(3)17(25)18(11)2/h9-10H,4-8H2,1-3H3