tert-butyl 4-(1-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-(1-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)imidazole-1-carboxylate Openeye Name: tert-butyl 4-(1-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)imidazole-1-carboxylate CAS Name: 4-(1-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)imidazole-1-carboxylate Traditional Name: 4-(1-nitro-8,9-dihydro-7H-benzocyclohepten-5-yl)imidazole-1-carboxylic acid tert-butyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)C2=CCCCC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)C2=CCCCC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-19(2,3)26-18(23)21-11-16(20-12-21)14-7-4-5-8-15-13(14)9-6-10-17(15)22(24)25/h6-7,9-12H,4-5,8H2,1-3H3