ethyl 4-(4-bromanyl-2-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-2-nitro-phenyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-bromo-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-bromo-2-nitrophenyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-bromo-2-nitro-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN3O4/c1-2-21-13(18)16-7-5-15(6-8-16)11-4-3-10(14)9-12(11)17(19)20/h3-4,9H,2,5-8H2,1H3