tert-butyl 3-imidazol-1-yl-4-nitro-benzoate

Systemtic Name: tert-butyl 3-imidazol-1-yl-4-nitro-benzoate Openeye Name: tert-butyl 3-imidazol-1-yl-4-nitro-benzoate CAS Name: 3-(1-imidazolyl)-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-imidazol-1-yl-4-nitrobenzoate Traditional Name: 3-imidazol-1-yl-4-nitro-benzoic acid tert-butyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)21-13(18)10-4-5-11(17(19)20)12(8-10)16-7-6-15-9-16/h4-9H,1-3H3