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methyl 3-[6-nitro-1-(phenylmethyl)benzimidazol-2-yl]propanoate

methyl 3-[6-nitro-1-(phenylmethyl)benzimidazol-2-yl]propanoate

Systemtic Name:methyl 3-[6-nitro-1-(phenylmethyl)benzimidazol-2-yl]propanoate
Openeye Name:methyl 3-(1-benzyl-6-nitro-benzimidazol-2-yl)propanoate
CAS Name:3-[6-nitro-1-(phenylmethyl)-2-benzimidazolyl]propanoic acid methyl ester
IUPAC Name:methyl 3-(1-benzyl-6-nitrobenzimidazol-2-yl)propanoate
Traditional Name:3-(1-benzyl-6-nitro-benzimidazol-2-yl)propionic acid methyl ester
Formula: C18H17N3O4
MolecularWeight: 339.34528
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C18H17N3O4/c1-25-18(22)10-9-17-19-15-8-7-14(21(23)24)11-16(15)20(17)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3


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