methyl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[(1,3-dioxoisoindolin-2-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(1,3-dioxo-2-isoindolyl)methyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxoisoindol-2-yl)methyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-phenyl-6-(phthalimidomethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C27H18N4O6 MolecularWeight: 494.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N4O6/c1-37-27(34)22-21(15-30-25(32)19-12-5-6-13-20(19)26(30)33)28-24(16-8-3-2-4-9-16)29-23(22)17-10-7-11-18(14-17)31(35)36/h2-14H,15H2,1H3