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

Systemtic Name: 4-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4/c21-17(22)14-10-18-16(11-5-2-1-3-6-11)19-15(14)12-7-4-8-13(9-12)20(23)24/h1-10H,(H,21,22)