[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C14H10N4O5 MolecularWeight: 314.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2)C#N

InChI

InChI=1S/C14H10N4O5/c15-6-8-2-1-3-9(4-8)16-12(20)7-23-13(21)10-5-11(19)18-14(22)17-10/h1-5H,7H2,(H,16,20)(H2,17,18,19,22)