2-(2-methyl-5-nitro-benzimidazol-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methyl-5-nitro-benzimidazol-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methyl-5-nitro-benzimidazol-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methyl-5-nitro-1-benzimidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitrobenzimidazol-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-methyl-5-nitro-benzimidazol-1-yl)ethyl ester Formula: C17H14N4O6 MolecularWeight: 370.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6/c1-11-18-15-10-14(21(25)26)6-7-16(15)19(11)8-9-27-17(22)12-2-4-13(5-3-12)20(23)24/h2-7,10H,8-9H2,1H3