3-nitro-2,6-di(piperidin-1-yl)benzoate

Systemtic Name: 3-nitro-2,6-di(piperidin-1-yl)benzoate Openeye Name: 3-nitro-2,6-bis(1-piperidyl)benzoate CAS Name: 3-nitro-2,6-bis(1-piperidinyl)benzoate IUPAC Name: 3-nitro-2,6-di(piperidin-1-yl)benzoate Traditional Name: 3-nitro-2,6-dipiperidino-benzoate Formula: C17H22N3O4- MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C17H23N3O4/c21-17(22)15-13(18-9-3-1-4-10-18)7-8-14(20(23)24)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2,(H,21,22)/p-1