2-methylpropyl 4-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C24H28ClN5O6 MolecularWeight: 517.96202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C24H28ClN5O6/c1-13(2)12-36-24(33)20-15(4)26-16(5)27-21(20)23(32)28-8-9-29(14(3)11-28)22(31)18-7-6-17(30(34)35)10-19(18)25/h6-7,10,13-14H,8-9,11-12H2,1-5H3