tert-butyl 4-(3-methyl-2-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-methyl-2-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-methyl-2-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methyl-2-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-methyl-2-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N3O5/c1-12-6-5-7-13(14(12)20(23)24)15(21)18-8-10-19(11-9-18)16(22)25-17(2,3)4/h5-7H,8-11H2,1-4H3