tert-butyl 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-18(2,3)27-17(24)21-8-6-20(7-9-21)16(23)15-14(19)12-5-4-11(22(25)26)10-13(12)28-15/h4-5,10H,6-9H2,1-3H3