tert-butyl 4-(8-nitro-2H-chromen-4-yl)imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-(8-nitro-2H-chromen-4-yl)imidazole-1-carboxylate Openeye Name: tert-butyl 4-(8-nitro-2H-chromen-4-yl)imidazole-1-carboxylate CAS Name: 4-(8-nitro-2H-1-benzopyran-4-yl)-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-nitro-2H-chromen-4-yl)imidazole-1-carboxylate Traditional Name: 4-(8-nitro-2H-chromen-4-yl)imidazole-1-carboxylic acid tert-butyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)C2=CCOC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)C2=CCOC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-17(2,3)25-16(21)19-9-13(18-10-19)11-7-8-24-15-12(11)5-4-6-14(15)20(22)23/h4-7,9-10H,8H2,1-3H3