[4-chloranyl-6-(dimethylamino)pyrimidin-5-yl] 2-methyl-3-(4-nitrophenyl)propanoate

Systemtic Name: [4-chloranyl-6-(dimethylamino)pyrimidin-5-yl] 2-methyl-3-(4-nitrophenyl)propanoate Openeye Name: [4-chloro-6-(dimethylamino)pyrimidin-5-yl] 2-methyl-3-(4-nitrophenyl)propanoate CAS Name: 2-methyl-3-(4-nitrophenyl)propanoic acid [4-chloro-6-(dimethylamino)-5-pyrimidinyl] ester IUPAC Name: [4-chloro-6-(dimethylamino)pyrimidin-5-yl] 2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: 2-methyl-3-(4-nitrophenyl)propionic acid [4-chloro-6-(dimethylamino)pyrimidin-5-yl] ester Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=C(N=CN=C2Cl)N(C)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=C(N=CN=C2Cl)N(C)C

InChI

InChI=1S/C16H17ClN4O4/c1-10(8-11-4-6-12(7-5-11)21(23)24)16(22)25-13-14(17)18-9-19-15(13)20(2)3/h4-7,9-10H,8H2,1-3H3