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

Systemtic Name: 3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate Openeye Name: 3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-(1H-benzimidazol-2-yl)propyl ester IUPAC Name: 3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-(1H-benzimidazol-2-yl)propyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4/c21-17(12-7-9-13(10-8-12)20(22)23)24-11-3-6-16-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,7-10H,3,6,11H2,(H,18,19)