tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitro-benzoate

Systemtic Name: tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitro-benzoate Openeye Name: tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-2-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate Traditional Name: 4-(4-methylpiperazino)-2-nitro-benzoic acid tert-butyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)13-6-5-12(11-14(13)19(21)22)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3