ethyl 1-[6-[(3-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(3-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(3-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-3-31-20(27)14-7-5-9-16(11-14)24-18-17(26(29)30)19(23-13-22-18)25-10-6-8-15(12-25)21(28)32-4-2/h5,7,9,11,13,15H,3-4,6,8,10,12H2,1-2H3,(H,22,23,24)