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

Systemtic Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-5-33-22(30)18-14(3)23-15(4)24-19(18)21(29)25-9-10-26(13(2)12-25)20(28)16-7-6-8-17(11-16)27(31)32/h6-8,11,13H,5,9-10,12H2,1-4H3