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

Systemtic Name: methyl 4-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-(methoxymethyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazine-1-carbonyl]-6-(methoxymethyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H26ClN5O7 MolecularWeight: 567.97764

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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)C4=CC=CC=C4)COC)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)COC)C(=O)OC

InChI

InChI=1S/C27H26ClN5O7/c1-16-14-31(11-12-32(16)25(34)19-10-9-18(33(37)38)13-20(19)28)26(35)23-22(27(36)40-3)21(15-39-2)29-24(30-23)17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3