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

Systemtic Name: ethyl 1-[6-[4-(4-chlorophenyl)carbonylphenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(4-chlorobenzoyl)phenoxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-chlorobenzoyl)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(4-chlorobenzoyl)phenoxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C25H23ClN4O6 MolecularWeight: 510.92632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O6/c1-2-35-25(32)18-11-13-29(14-12-18)23-21(30(33)34)24(28-15-27-23)36-20-9-5-17(6-10-20)22(31)16-3-7-19(26)8-4-16/h3-10,15,18H,2,11-14H2,1H3