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

Systemtic Name: propan-2-yl 4-[4-(4-chloranyl-3-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(4-chloro-3-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-chloro-3-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-chloro-3-nitrobenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chloro-3-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C23H26ClN5O6 MolecularWeight: 503.93544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O6/c1-12(2)35-23(32)19-14(4)25-15(5)26-20(19)22(31)27-8-9-28(13(3)11-27)21(30)16-6-7-17(24)18(10-16)29(33)34/h6-7,10,12-13H,8-9,11H2,1-5H3