1H-benzo[f]benzimidazol-2-ylmethyl 3,5-dinitrobenzoate

Systemtic Name: 1H-benzo[f]benzimidazol-2-ylmethyl 3,5-dinitrobenzoate Openeye Name: 1H-benzo[f]benzimidazol-2-ylmethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1H-benzo[f]benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzo[f]benzimidazol-2-ylmethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1H-benzo[f]benzimidazol-2-ylmethyl ester Formula: C19H12N4O6 MolecularWeight: 392.32178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)NC(=N3)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)NC(=N3)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O6/c24-19(13-5-14(22(25)26)9-15(6-13)23(27)28)29-10-18-20-16-7-11-3-1-2-4-12(11)8-17(16)21-18/h1-9H,10H2,(H,20,21)