ethyl 1-[6-[(2-chloranyl-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(2-chloranyl-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(2-chloro-6-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2-chloro-6-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-chloro-6-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24ClN5O4 MolecularWeight: 433.88866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=CC=C3Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=CC=C3Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O4/c1-3-30-20(27)14-7-9-25(10-8-14)19-17(26(28)29)18(23-12-24-19)22-11-15-13(2)5-4-6-16(15)21/h4-6,12,14H,3,7-11H2,1-2H3,(H,22,23,24)