[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C

InChI

InChI=1S/C21H20N6O5/c1-11-5-12(2)27(26-11)17-4-3-13(9-24-17)21(31)32-10-18(28)25-16-7-14(19(22)29)6-15(8-16)20(23)30/h3-9H,10H2,1-2H3,(H2,22,29)(H2,23,30)(H,25,28)