2-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 2-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 2-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-3-nitrobenzoate IUPAC Name: 2-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-3-nitro-benzoate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-9-5-7-14(8-6-9)12-10(13(16)17)3-2-4-11(12)15(18)19/h2-4,9H,5-8H2,1H3,(H,16,17)/p-1