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

Systemtic Name: ethyl 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: ethyl 4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]benzoic acid ethyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-2-22-13(20)8-3-5-9(6-4-8)15-7-10-11(18)16-14(21)17-12(10)19/h3-7,15H,2H2,1H3,(H2,16,17,18,19,21)