dimethyl 5-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-amino-5-oxo-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(4-amino-5-oxo-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-amino-5-oxo-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-amino-5-keto-1,2,4-triazin-3-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NN=CC(=O)N2N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NN=CC(=O)N2N)C(=O)OC

InChI

InChI=1S/C13H13N5O5/c1-22-11(20)7-3-8(12(21)23-2)5-9(4-7)16-13-17-15-6-10(19)18(13)14/h3-6H,14H2,1-2H3,(H,16,17)