4-nitro-2-[[2-[(5-nitro-2-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-nitro-2-[[2-[(5-nitro-2-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]phenol Openeye Name: 2-[[2-(2-hydroxy-5-nitro-anilino)pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[2-(2-hydroxy-5-nitroanilino)-4-pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[2-(2-hydroxy-5-nitroanilino)pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[2-(2-hydroxy-5-nitro-anilino)pyrimidin-4-yl]amino]-4-nitro-phenol Formula: C16H12N6O6 MolecularWeight: 384.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC2=NC(=NC=C2)NC3=C(C=CC(=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC2=NC(=NC=C2)NC3=C(C=CC(=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H12N6O6/c23-13-3-1-9(21(25)26)7-11(13)18-15-5-6-17-16(20-15)19-12-8-10(22(27)28)2-4-14(12)24/h1-8,23-24H,(H2,17,18,19,20)