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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(2-methoxy-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-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-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-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C14H13N5O8 MolecularWeight: 379.28172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=O)NC(=O)N2)N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C(=O)NC(=O)N2)N

InChI

InChI=1S/C14H13N5O8/c1-26-8-4-6(19(24)25)2-3-7(8)16-9(20)5-27-13(22)11-10(15)12(21)18-14(23)17-11/h2-4H,5,15H2,1H3,(H,16,20)(H2,17,18,21,23)