1-(6-chloranyl-5-nitro-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranyl-5-nitro-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-(6-chloro-5-nitro-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-(6-chloro-5-nitro-4-pyrimidinyl)-N-(2,4-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(6-chloro-5-nitropyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(6-chloro-5-nitro-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)isonipecotamide Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C(=NC=N3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C(=NC=N3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20ClN5O5/c1-28-12-3-4-13(14(9-12)29-2)22-18(25)11-5-7-23(8-6-11)17-15(24(26)27)16(19)20-10-21-17/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)