methyl 5-nitro-2-piperazin-1-yl-benzoate

Systemtic Name: methyl 5-nitro-2-piperazin-1-yl-benzoate Openeye Name: methyl 5-nitro-2-piperazin-1-yl-benzoate CAS Name: 5-nitro-2-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-piperazin-1-ylbenzoate Traditional Name: 5-nitro-2-piperazino-benzoic acid methyl ester Formula: C12H15N3O4 MolecularWeight: 265.2652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-19-12(16)10-8-9(15(17)18)2-3-11(10)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3