[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C14H12N4O7 MolecularWeight: 348.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CNC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CNC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O7/c1-7-2-3-8(4-10(7)18(23)24)16-11(19)6-25-13(21)9-5-15-14(22)17-12(9)20/h2-5H,6H2,1H3,(H,16,19)(H2,15,17,20,22)