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

Systemtic Name: 4-[1-[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]benzoate Openeye Name: 4-[1-(1-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)ethylamino]benzoate CAS Name: 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate IUPAC Name: 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate Traditional Name: 4-[1-(1-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)ethylamino]benzoate Formula: C17H18N3O5- MolecularWeight: 344.34192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C)NC2=CC=C(C=C2)C(=O)[O-])C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=C(C)NC2=CC=C(C=C2)C(=O)[O-])C(=O)NC1=O

InChI

InChI=1S/C17H19N3O5/c1-3-4-9-20-15(22)13(14(21)19-17(20)25)10(2)18-12-7-5-11(6-8-12)16(23)24/h5-8,18H,3-4,9H2,1-2H3,(H,23,24)(H,19,21,25)/p-1