4,6-bis(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 4,6-bis(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid CAS Name: 4,6-bis(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylic acid Traditional Name: 4,6-bis(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid Formula: C24H18N8O8 MolecularWeight: 546.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H18N8O8/c33-23(34)20-21(14-1-5-16(6-2-14)30(35)36)28-24(29-22(20)15-3-7-17(8-4-15)31(37)38)26-12-11-25-19-10-9-18(13-27-19)32(39)40/h1-10,13H,11-12H2,(H,25,27)(H,33,34)(H,26,28,29)