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

Systemtic Name: prop-2-enyl 4-[4-(4-chloranyl-3-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C23H24ClN5O6 MolecularWeight: 501.91956

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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)OCC=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)OCC=C

InChI

InChI=1S/C23H24ClN5O6/c1-5-10-35-23(32)19-14(3)25-15(4)26-20(19)22(31)27-8-9-28(13(2)12-27)21(30)16-6-7-17(24)18(11-16)29(33)34/h5-7,11,13H,1,8-10,12H2,2-4H3