4-[[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(1-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 4-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(1-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC1=O

InChI

InChI=1S/C16H16N2O5/c1-2-3-8-18-14(20)12(13(19)17-16(18)23)9-10-4-6-11(7-5-10)15(21)22/h4-7,9H,2-3,8H2,1H3,(H,21,22)(H,17,19,23)