4-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoate

Systemtic Name: 4-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoate Openeye Name: 4-[(5Z)-5-(1-naphthylmethylene)-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzoate CAS Name: 4-[(5Z)-5-(1-naphthalenylmethylidene)-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate IUPAC Name: 4-[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate Traditional Name: 4-[(5Z)-2,4,6-triketo-5-(1-naphthylmethylene)hexahydropyrimidin-1-yl]benzoate Formula: C22H13N2O5- MolecularWeight: 385.34902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H14N2O5/c25-19-18(12-15-6-3-5-13-4-1-2-7-17(13)15)20(26)24(22(29)23-19)16-10-8-14(9-11-16)21(27)28/h1-12H,(H,27,28)(H,23,25,29)/p-1/b18-12-