5-[(E)-[1-(3-chloranyl-4-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-benzoic acid

Systemtic Name: 5-[(E)-[1-(3-chloranyl-4-methyl-phenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-benzoic acid Openeye Name: 5-[(E)-[1-(3-chloro-4-methyl-phenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-ethoxy-benzoic acid CAS Name: 5-[(E)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxybenzoic acid IUPAC Name: 5-[(E)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxybenzoic acid Traditional Name: 5-[(E)-[1-(3-chloro-4-methyl-phenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-ethoxy-benzoic acid Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)C(=O)O

InChI

InChI=1S/C21H17ClN2O6/c1-3-30-17-7-5-12(8-14(17)20(27)28)9-15-18(25)23-21(29)24(19(15)26)13-6-4-11(2)16(22)10-13/h4-10H,3H2,1-2H3,(H,27,28)(H,23,25,29)/b15-9+