(4-methyl-6-pyrrolidin-1-yl-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate

Systemtic Name: (4-methyl-6-pyrrolidin-1-yl-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Openeye Name: (4-methyl-6-pyrrolidin-1-yl-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate CAS Name: 2-methyl-3-(4-nitrophenyl)propanoic acid [4-methyl-6-(1-pyrrolidinyl)-5-pyrimidinyl] ester IUPAC Name: (4-methyl-6-pyrrolidin-1-ylpyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: 2-methyl-3-(4-nitrophenyl)propionic acid (4-methyl-6-pyrrolidino-pyrimidin-5-yl) ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)N2CCCC2)OC(=O)C(C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=N1)N2CCCC2)OC(=O)C(C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-13(11-15-5-7-16(8-6-15)23(25)26)19(24)27-17-14(2)20-12-21-18(17)22-9-3-4-10-22/h5-8,12-13H,3-4,9-11H2,1-2H3