2-[6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]-1H-pyrimidin-5-yl]acetic acid Formula: C14H12N6O5 MolecularWeight: 344.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C14H12N6O5/c1-6-8(5-11(21)22)12(23)18-13(15-6)19-14-16-9-3-2-7(20(24)25)4-10(9)17-14/h2-4H,5H2,1H3,(H,21,22)(H3,15,16,17,18,19,23)