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

Systemtic Name: methyl 4-[4-(3,5-dinitrophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,5-dinitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-(methoxymethyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3,5-dinitrobenzoyl)-3-methylpiperazine-1-carbonyl]-6-(methoxymethyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,5-dinitrobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H26N6O9 MolecularWeight: 578.53014

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O9/c1-16-14-30(9-10-31(16)25(34)18-11-19(32(37)38)13-20(12-18)33(39)40)26(35)23-22(27(36)42-3)21(15-41-2)28-24(29-23)17-7-5-4-6-8-17/h4-8,11-13,16H,9-10,14-15H2,1-3H3