2-azanyl-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-azanyl-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-amino-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-amino-5-[1-(4-chlorophenyl)-2-nitroethyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-amino-5-[1-(4-chlorophenyl)-2-nitroethyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-amino-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C12H11ClN4O4 MolecularWeight: 310.69314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(N=C(NC2=O)N)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(N=C(NC2=O)N)O)Cl

InChI

InChI=1S/C12H11ClN4O4/c13-7-3-1-6(2-4-7)8(5-17(20)21)9-10(18)15-12(14)16-11(9)19/h1-4,8H,5H2,(H4,14,15,16,18,19)