[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C19H18Cl2N4O5 MolecularWeight: 453.27602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18Cl2N4O5/c20-13-9-14(21)18(22-10-13)23-17(26)11-30-19(27)12-4-5-15(16(8-12)25(28)29)24-6-2-1-3-7-24/h4-5,8-10H,1-3,6-7,11H2,(H,22,23,26)