methyl 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H14N6O4/c1-29-19(26)12-6-8-13(9-7-12)23-17-16(25(27)28)18(21-10-20-17)24-11-22-14-4-2-3-5-15(14)24/h2-11H,1H3,(H,20,21,23)