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

Systemtic Name: 2-methoxyethyl 4-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C23H26ClN5O7 MolecularWeight: 519.93484

Click to see the large picture

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)OCCOC

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)OCCOC

InChI

InChI=1S/C23H26ClN5O7/c1-13-12-27(7-8-28(13)21(30)17-6-5-16(29(33)34)11-18(17)24)22(31)20-19(14(2)25-15(3)26-20)23(32)36-10-9-35-4/h5-6,11,13H,7-10,12H2,1-4H3