4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-nitrophenyl)methyl]-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(3-nitrobenzyl)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13N3O4/c22-18(23)15-11-19-17(13-6-2-1-3-7-13)20-16(15)10-12-5-4-8-14(9-12)21(24)25/h1-9,11H,10H2,(H,22,23)