tert-butyl 3-methyl-2-[(2-nitrophenyl)-oxidanyl-methyl]imidazole-4-carboxylate

Systemtic Name: tert-butyl 3-methyl-2-[(2-nitrophenyl)-oxidanyl-methyl]imidazole-4-carboxylate Openeye Name: tert-butyl 2-[hydroxy-(2-nitrophenyl)methyl]-3-methyl-imidazole-4-carboxylate CAS Name: 2-[hydroxy-(2-nitrophenyl)methyl]-3-methyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[hydroxy-(2-nitrophenyl)methyl]-3-methylimidazole-4-carboxylate Traditional Name: 2-[hydroxy-(2-nitrophenyl)methyl]-3-methyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=C(N1C)C(C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN=C(N1C)C(C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C16H19N3O5/c1-16(2,3)24-15(21)12-9-17-14(18(12)4)13(20)10-7-5-6-8-11(10)19(22)23/h5-9,13,20H,1-4H3