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

Systemtic Name: 4-[(6-diazanyl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-hydrazinyl-5-nitro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C11H10N6O4 MolecularWeight: 290.2349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

InChI

InChI=1S/C11H10N6O4/c12-16-10-8(17(20)21)9(13-5-14-10)15-7-3-1-6(2-4-7)11(18)19/h1-5H,12H2,(H,18,19)(H2,13,14,15,16)