methyl 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H19ClN4O5 MolecularWeight: 406.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN4O5/c1-11-9-13(3-4-14(11)19)28-17-15(23(25)26)16(20-10-21-17)22-7-5-12(6-8-22)18(24)27-2/h3-4,9-10,12H,5-8H2,1-2H3