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

Systemtic Name: 4-[[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N6O6 MolecularWeight: 424.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O6/c26-15(10-31-14-4-2-1-3-5-14)23-24-18-16(25(29)30)17(20-11-21-18)22-13-8-6-12(7-9-13)19(27)28/h1-9,11H,10H2,(H,23,26)(H,27,28)(H2,20,21,22,24)