5-bromanyl-5-[(4-methoxyphenyl)amino]-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylic acid

Systemtic Name: 5-bromanyl-5-[(4-methoxyphenyl)amino]-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylic acid Openeye Name: 5-bromo-5-(4-methoxyanilino)-2,6-dioxo-hexahydropyrimidine-4-carboxylic acid CAS Name: 5-bromo-5-(4-methoxyanilino)-2,6-dioxo-1,3-diazinane-4-carboxylic acid IUPAC Name: 5-bromo-5-(4-methoxyanilino)-2,6-dioxo-1,3-diazinane-4-carboxylic acid Traditional Name: 5-bromo-2,6-diketo-5-(p-anisidino)hexahydropyrimidine-4-carboxylic acid Formula: C12H12BrN3O5 MolecularWeight: 358.14478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2(C(NC(=O)NC2=O)C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2(C(NC(=O)NC2=O)C(=O)O)Br

InChI

InChI=1S/C12H12BrN3O5/c1-21-7-4-2-6(3-5-7)16-12(13)8(9(17)18)14-11(20)15-10(12)19/h2-5,8,16H,1H3,(H,17,18)(H2,14,15,19,20)