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

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H15N7O3 MolecularWeight: 425.3996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H15N7O3/c30-29(31)20-21(23-14-24-22(20)28-19-9-5-4-8-18(19)26-27-28)25-15-10-12-17(13-11-15)32-16-6-2-1-3-7-16/h1-14H,(H,23,24,25)