[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H9N5O7 MolecularWeight: 359.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=O)NC(=O)N2

InChI

InChI=1S/C14H9N5O7/c15-5-7-3-8(19(24)25)1-2-9(7)16-12(21)6-26-13(22)10-4-11(20)18-14(23)17-10/h1-4H,6H2,(H,16,21)(H2,17,18,20,23)