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3-(1H-benzo[f]benzimidazol-2-yl)propyl 4-nitrobenzoate

3-(1H-benzo[f]benzimidazol-2-yl)propyl 4-nitrobenzoate

Systemtic Name:3-(1H-benzo[f]benzimidazol-2-yl)propyl 4-nitrobenzoate
Openeye Name:3-(1H-benzo[f]benzimidazol-2-yl)propyl 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid 3-(1H-benzo[f]benzimidazol-2-yl)propyl ester
IUPAC Name:3-(1H-benzo[f]benzimidazol-2-yl)propyl 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid 3-(1H-benzo[f]benzimidazol-2-yl)propyl ester
Formula: C21H17N3O4
MolecularWeight: 375.37738
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H17N3O4/c25-21(14-7-9-17(10-8-14)24(26)27)28-11-3-6-20-22-18-12-15-4-1-2-5-16(15)13-19(18)23-20/h1-2,4-5,7-10,12-13H,3,6,11H2,(H,22,23)


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