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

Systemtic Name: 4-[1-[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]propylamino]benzoate Openeye Name: 4-[1-(1-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)propylamino]benzoate CAS Name: 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate IUPAC Name: 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate Traditional Name: 4-[1-(1-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)propylamino]benzoate Formula: C18H20N3O5- MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-3-5-10-21-16(23)14(15(22)20-18(21)26)13(4-2)19-12-8-6-11(7-9-12)17(24)25/h6-9,19H,3-5,10H2,1-2H3,(H,24,25)(H,20,22,26)/p-1