ethyl 1-[5-nitro-6-(4-pyrrol-1-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-pyrrol-1-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(4-pyrrol-1-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(1-pyrrolyl)phenoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-pyrrol-1-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-pyrrol-1-ylphenoxy)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-2-31-22(28)16-9-13-26(14-10-16)20-19(27(29)30)21(24-15-23-20)32-18-7-5-17(6-8-18)25-11-3-4-12-25/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3