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

Systemtic Name: 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid Formula: C17H13N7O6 MolecularWeight: 411.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6/c25-17(26)10-1-3-11(4-2-10)20-15-14(24(29)30)16(19-9-18-15)22-21-12-5-7-13(8-6-12)23(27)28/h1-9,21H,(H,25,26)(H2,18,19,20,22)