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

Systemtic Name: 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O4/c24-17(25)11-6-8-12(9-7-11)20-15-14(23(26)27)16(19-10-18-15)22-21-13-4-2-1-3-5-13/h1-10,21H,(H,24,25)(H2,18,19,20,22)