methyl 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: methyl 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: methyl 4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]benzoic acid methyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H11N3O5/c1-21-12(19)7-2-4-8(5-3-7)14-6-9-10(17)15-13(20)16-11(9)18/h2-6,14H,1H3,(H2,15,16,17,18,20)