tert-butyl 4-aminocarbonyl-3-nitro-2-piperazin-1-yl-benzoate

Systemtic Name: tert-butyl 4-aminocarbonyl-3-nitro-2-piperazin-1-yl-benzoate Openeye Name: tert-butyl 4-carbamoyl-3-nitro-2-piperazin-1-yl-benzoate CAS Name: 4-carbamoyl-3-nitro-2-(1-piperazinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-carbamoyl-3-nitro-2-piperazin-1-ylbenzoate Traditional Name: 4-carbamoyl-3-nitro-2-piperazino-benzoic acid tert-butyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)C(=O)N)[N+](=O)[O-])N2CCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)C(=O)N)[N+](=O)[O-])N2CCNCC2

InChI

InChI=1S/C16H22N4O5/c1-16(2,3)25-15(22)11-5-4-10(14(17)21)13(20(23)24)12(11)19-8-6-18-7-9-19/h4-5,18H,6-9H2,1-3H3,(H2,17,21)