2-[2-[(E)-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylhydrazinylidene]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]hydrazono]methyl]phenoxy]acetic acid Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=CC=C3OCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C18H18N6O6/c1-22-16-15(17(28)23(2)18(22)29)24(10-19-16)8-13(25)21-20-7-11-5-3-4-6-12(11)30-9-14(26)27/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,26,27)/b20-7+