1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole CAS Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)benzotriazole Formula: C18H13N7O2 MolecularWeight: 359.34152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H13N7O2/c26-25(27)16-17(23-10-9-12-5-1-3-7-14(12)23)19-11-20-18(16)24-15-8-4-2-6-13(15)21-22-24/h1-8,11H,9-10H2