ethyl 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN5O4/c1-2-29-19(26)14-7-9-24(10-8-14)18-16(25(27)28)17(22-12-23-18)21-11-13-3-5-15(20)6-4-13/h3-6,12,14H,2,7-11H2,1H3,(H,21,22,23)