[2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H20Cl2N4O5 MolecularWeight: 467.3026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H20Cl2N4O5/c1-12-15(21)10-16(22)19(23-12)24-18(27)11-31-20(28)14-9-13(26(29)30)5-6-17(14)25-7-3-2-4-8-25/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,23,24,27)