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

Systemtic Name: 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C14H10N6O4 MolecularWeight: 326.267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C14H10N6O4/c21-14(22)9-1-3-10(4-2-9)18-12-11(20(23)24)13(17-7-16-12)19-6-5-15-8-19/h1-8H,(H,21,22)(H,16,17,18)