[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-amino-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] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-amino-2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H10N6O7 MolecularWeight: 374.2652

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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=C(C(=O)NC(=O)N2)N

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O7/c15-4-6-3-7(20(25)26)1-2-8(6)17-9(21)5-27-13(23)11-10(16)12(22)19-14(24)18-11/h1-3H,5,16H2,(H,17,21)(H2,18,19,22,24)