4-[(2S)-2-methylpiperidin-1-yl]-3,5-dinitro-benzoate

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]-3,5-dinitro-benzoate Openeye Name: 4-[(2S)-2-methyl-1-piperidyl]-3,5-dinitro-benzoate CAS Name: 4-[(2S)-2-methyl-1-piperidinyl]-3,5-dinitrobenzoate IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]-3,5-dinitrobenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]-3,5-dinitro-benzoate Formula: C13H14N3O6- MolecularWeight: 308.26676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-8-4-2-3-5-14(8)12-10(15(19)20)6-9(13(17)18)7-11(12)16(21)22/h6-8H,2-5H2,1H3,(H,17,18)/p-1/t8-/m0/s1