3-(6-nitro-1H-benzimidazol-2-yl)propyl 4-nitrobenzoate

Systemtic Name: 3-(6-nitro-1H-benzimidazol-2-yl)propyl 4-nitrobenzoate Openeye Name: 3-(6-nitro-1H-benzimidazol-2-yl)propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-(6-nitro-1H-benzimidazol-2-yl)propyl ester IUPAC Name: 3-(6-nitro-1H-benzimidazol-2-yl)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-(6-nitro-1H-benzimidazol-2-yl)propyl ester Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6/c22-17(11-3-5-12(6-4-11)20(23)24)27-9-1-2-16-18-14-8-7-13(21(25)26)10-15(14)19-16/h3-8,10H,1-2,9H2,(H,18,19)