methyl 4-[1-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-nitro-ethyl]benzoate

Systemtic Name: methyl 4-[1-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-nitro-ethyl]benzoate Openeye Name: methyl 4-[1-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-2-nitro-ethyl]benzoate CAS Name: 4-[1-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-2-nitroethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-2-nitroethyl]benzoate Traditional Name: 4-[1-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-2-nitro-ethyl]benzoic acid methyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-24-13(21)8-4-2-7(3-5-8)9(6-19(22)23)10-11(15)17-14(16)18-12(10)20/h2-5,9H,6H2,1H3,(H5,15,16,17,18,20)