2-[4-methyl-2-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(4-nitrophenyl)methyl]-6-(1-pyrrolidinyl)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-methyl-2-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-(4-nitrobenzyl)-6-pyrrolidino-pyrimidin-5-yl]acetic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)CC(=O)O

InChI

InChI=1S/C18H20N4O4/c1-12-15(11-17(23)24)18(21-8-2-3-9-21)20-16(19-12)10-13-4-6-14(7-5-13)22(25)26/h4-7H,2-3,8-11H2,1H3,(H,23,24)