ethyl 1-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-4-30-20(26)14-6-5-9-24(11-14)19-17(25(27)28)18(21-12-22-19)23-15-10-13(2)7-8-16(15)29-3/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,21,22,23)