6-(3-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 6-(3-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-4-carboxylic acid Openeye Name: 3-benzyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4-carboxylic acid CAS Name: 6-(3-nitrophenyl)-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-4-carboxylic acid IUPAC Name: 3-benzyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4-carboxylic acid Traditional Name: 3-benzyl-2-keto-6-(3-nitrophenyl)-1,6-dihydropyrimidine-4-carboxylic acid Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(NC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(NC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H15N3O5/c22-17(23)16-10-15(13-7-4-8-14(9-13)21(25)26)19-18(24)20(16)11-12-5-2-1-3-6-12/h1-10,15H,11H2,(H,19,24)(H,22,23)