4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoate

Systemtic Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoate Openeye Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoate CAS Name: 4-(1-methyl-5-nitro-2-benzimidazolyl)butanoate IUPAC Name: 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate Traditional Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butyrate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCCC(=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-14-10-6-5-8(15(18)19)7-9(10)13-11(14)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,16,17)/p-1