4-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(furan-2-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[2-furanyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(2-furoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H12N6O6 MolecularWeight: 384.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N6O6/c23-15(11-2-1-7-28-11)21-20-14-12(22(26)27)13(17-8-18-14)19-10-5-3-9(4-6-10)16(24)25/h1-8H,(H,21,23)(H,24,25)(H2,17,18,19,20)