tert-butyl 4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5/c1-18(2,3)29-17(26)22-8-6-21(7-9-22)16(25)13-4-5-14(15(10-13)24(27)28)23-12-19-11-20-23/h4-5,10-12H,6-9H2,1-3H3