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

Systemtic Name: 4-[[5-nitro-6-[2-(4-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(4-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-[N'-(4-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid Formula: C18H13N7O7 MolecularWeight: 439.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N7O7/c26-17(10-3-7-13(8-4-10)24(29)30)23-22-16-14(25(31)32)15(19-9-20-16)21-12-5-1-11(2-6-12)18(27)28/h1-9H,(H,23,26)(H,27,28)(H2,19,20,21,22)