3-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-(2,6-dioxo-4-phenyl-hexahydropyrimidin-1-yl)benzoic acid CAS Name: 3-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoic acid IUPAC Name: 3-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoic acid Traditional Name: 3-(2,6-diketo-4-phenyl-hexahydropyrimidin-1-yl)benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(NC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O4/c20-15-10-14(11-5-2-1-3-6-11)18-17(23)19(15)13-8-4-7-12(9-13)16(21)22/h1-9,14H,10H2,(H,18,23)(H,21,22)