[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(3-nitroanilino)-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-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-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-(3-nitroanilino)ethyl] ester Formula: C13H11N5O7 MolecularWeight: 349.25574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O7/c14-9-10(16-13(22)17-11(9)20)12(21)25-5-8(19)15-6-2-1-3-7(4-6)18(23)24/h1-4H,5,14H2,(H,15,19)(H2,16,17,20,22)