4-nitro-2-[2,4,6-tris(oxidanylidene)-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl]benzoic acid

Systemtic Name: 4-nitro-2-[2,4,6-tris(oxidanylidene)-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl]benzoic acid Openeye Name: 2-[1-(1-methylbutyl)-2,4,6-trioxo-5-propyl-hexahydropyrimidin-5-yl]-4-nitro-benzoic acid CAS Name: 4-nitro-2-(2,4,6-trioxo-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl)benzoic acid IUPAC Name: 4-nitro-2-(2,4,6-trioxo-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl)benzoic acid Traditional Name: 4-nitro-2-[2,4,6-triketo-1-(1-methylbutyl)-5-propyl-hexahydropyrimidin-5-yl]benzoic acid Formula: C19H23N3O7 MolecularWeight: 405.40182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=O)C(C(=O)NC1=O)(CCC)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC(C)N1C(=O)C(C(=O)NC1=O)(CCC)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H23N3O7/c1-4-6-11(3)21-17(26)19(9-5-2,16(25)20-18(21)27)14-10-12(22(28)29)7-8-13(14)15(23)24/h7-8,10-11H,4-6,9H2,1-3H3,(H,23,24)(H,20,25,27)