1H-benzimidazol-2-ylmethyl 4-methoxy-3-nitro-benzoate

Systemtic Name: 1H-benzimidazol-2-ylmethyl 4-methoxy-3-nitro-benzoate Openeye Name: 1H-benzimidazol-2-ylmethyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid 1H-benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylmethyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid 1H-benzimidazol-2-ylmethyl ester Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-23-14-7-6-10(8-13(14)19(21)22)16(20)24-9-15-17-11-4-2-3-5-12(11)18-15/h2-8H,9H2,1H3,(H,17,18)