5-(4-nitrophenyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 5-(4-nitrophenyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid Openeye Name: 5-(4-nitrophenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid CAS Name: 5-(4-nitrophenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid IUPAC Name: 5-(4-nitrophenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid Traditional Name: 2-keto-5-(4-nitrophenyl)-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-16(22)15-13(10-6-8-12(9-7-10)20(24)25)14(18-17(23)19-15)11-4-2-1-3-5-11/h1-9,14H,(H,21,22)(H2,18,19,23)