4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H12N6O4 MolecularWeight: 376.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O4/c25-18(26)11-5-7-12(8-6-11)22-16-15(24(27)28)17(20-9-19-16)23-10-21-13-3-1-2-4-14(13)23/h1-10H,(H,25,26)(H,19,20,22)