methyl N-[6-(4-phosphonooxyphenyl)carbonyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-(4-phosphonooxyphenyl)carbonyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-(4-phosphonooxybenzoyl)-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[oxo-(4-phosphonooxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-(4-phosphonooxybenzoyl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(4-phosphonooxybenzoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C16H14N3O7P MolecularWeight: 391.272021

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)OP(=O)(O)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)OP(=O)(O)O

InChI

InChI=1S/C16H14N3O7P/c1-25-16(21)19-15-17-12-7-4-10(8-13(12)18-15)14(20)9-2-5-11(6-3-9)26-27(22,23)24/h2-8H,1H3,(H2,22,23,24)(H2,17,18,19,21)