2-(2-nitronaphthalen-1-yl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(2-nitronaphthalen-1-yl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(2-nitro-1-naphthyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(2-nitro-1-naphthalenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(2-nitronaphthalen-1-yl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(2-nitro-1-naphthyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2/c1-2-3-10-19(11-20,12-23-14-21-13-22-23)18-16-7-5-4-6-15(16)8-9-17(18)24(25)26/h4-9,13-14H,2-3,10,12H2,1H3