6-(benzotriazol-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C16H11N7O2 MolecularWeight: 333.30424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H11N7O2/c24-23(25)14-15(19-11-6-2-1-3-7-11)17-10-18-16(14)22-13-9-5-4-8-12(13)20-21-22/h1-10H,(H,17,18,19)