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

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C11H9N5O4 MolecularWeight: 275.22026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5O4/c12-9-8(16(19)20)10(14-5-13-9)15-7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)(H3,12,13,14,15)