5-nitro-N4-(3-nitrophenyl)-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-nitrophenyl)-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-nitrophenyl)-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C22H16N8O4 MolecularWeight: 456.41364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N8O4/c31-29(32)19-8-4-7-18(13-19)26-22-20(30(33)34)21(23-14-24-22)25-15-9-11-17(12-10-15)28-27-16-5-2-1-3-6-16/h1-14H,(H2,23,24,25,26)