4-(1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate

Systemtic Name: 4-(1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate Openeye Name: [3-(1H-benzimidazol-2-yl)-1-methyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(1H-benzimidazol-2-yl)butan-2-yl ester IUPAC Name: 4-(1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(1H-benzimidazol-2-yl)-1-methyl-propyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NC2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=NC2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-12(6-11-17-19-15-4-2-3-5-16(15)20-17)25-18(22)13-7-9-14(10-8-13)21(23)24/h2-5,7-10,12H,6,11H2,1H3,(H,19,20)