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

Systemtic Name: 2-methylpropyl 4-[4-(3,5-dinitrophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,5-dinitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(3,5-dinitrobenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C24H28N6O8 MolecularWeight: 528.51452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O8/c1-13(2)12-38-24(33)20-15(4)25-16(5)26-21(20)23(32)27-6-7-28(14(3)11-27)22(31)17-8-18(29(34)35)10-19(9-17)30(36)37/h8-10,13-14H,6-7,11-12H2,1-5H3