ethyl 2-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H16N6O4/c1-2-30-20(27)13-7-3-4-8-14(13)24-18-17(26(28)29)19(22-11-21-18)25-12-23-15-9-5-6-10-16(15)25/h3-12H,2H2,1H3,(H,21,22,24)