methyl 2-[5-aminocarbonyl-1-(4-methoxyphenyl)-3-oxidanidyl-benzimidazol-3-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[5-aminocarbonyl-1-(4-methoxyphenyl)-3-oxidanidyl-benzimidazol-3-ium-2-yl]ethanoate Openeye Name: methyl 2-[5-carbamoyl-1-(4-methoxyphenyl)-3-oxido-benzimidazol-3-ium-2-yl]acetate CAS Name: 2-[5-carbamoyl-1-(4-methoxyphenyl)-3-oxido-2-benzimidazol-3-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-carbamoyl-1-(4-methoxyphenyl)-3-oxidobenzimidazol-3-ium-2-yl]acetate Traditional Name: 2-[5-carbamoyl-1-(4-methoxyphenyl)-3-oxido-benzimidazol-3-ium-2-yl]acetic acid methyl ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(=O)N)[N+](=C2CC(=O)OC)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(=O)N)[N+](=C2CC(=O)OC)[O-]

InChI

InChI=1S/C18H17N3O5/c1-25-13-6-4-12(5-7-13)20-14-8-3-11(18(19)23)9-15(14)21(24)16(20)10-17(22)26-2/h3-9H,10H2,1-2H3,(H2,19,23)