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

Systemtic Name: ethyl 4-[[1-butyl-2,4,6-tris(oxidanylidene)-3-prop-2-enyl-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: ethyl 4-[(1-allyl-3-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(1-butyl-2,4,6-trioxo-3-prop-2-enyl-1,3-diazinan-5-ylidene)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-butyl-2,4,6-trioxo-3-prop-2-enyl-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-allyl-3-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OCC)C(=O)N(C1=O)CC=C

Isomeric SMILES

CCCCN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OCC)C(=O)N(C1=O)CC=C

InChI

InChI=1S/C21H25N3O5/c1-4-7-13-24-19(26)17(18(25)23(12-5-2)21(24)28)14-22-16-10-8-15(9-11-16)20(27)29-6-3/h5,8-11,14,22H,2,4,6-7,12-13H2,1,3H3