ethyl 4-(4-methylpiperidin-1-yl)-3,5-dinitro-benzoate

Systemtic Name: ethyl 4-(4-methylpiperidin-1-yl)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(4-methyl-1-piperidyl)-3,5-dinitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperidin-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3,5-dinitro-benzoic acid ethyl ester Formula: C15H19N3O6 MolecularWeight: 337.32786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-3-24-15(19)11-8-12(17(20)21)14(13(9-11)18(22)23)16-6-4-10(2)5-7-16/h8-10H,3-7H2,1-2H3