8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline

Systemtic Name: 8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline Openeye Name: 8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline CAS Name: 8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline IUPAC Name: 8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline Traditional Name: 8-(3-nitrophenyl)-6-(1H-1,2,4-triazol-5-ylmethyl)quinoline Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C3C(=CC(=C2)CC4=NC=NN4)C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C3C(=CC(=C2)CC4=NC=NN4)C=CC=N3

InChI

InChI=1S/C18H13N5O2/c24-23(25)15-5-1-3-13(10-15)16-8-12(9-17-20-11-21-22-17)7-14-4-2-6-19-18(14)16/h1-8,10-11H,9H2,(H,20,21,22)