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3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name:3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Openeye Name:3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
CAS Name:3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
IUPAC Name:3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Traditional Name:3-(3,5-dinitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Formula: C15H16N6O4
MolecularWeight: 344.32534
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(CN2C=NC=N2)C#N


Isomeric SMILES

CCCC(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(CN2C=NC=N2)C#N


InChI

InChI=1S/C15H16N6O4/c1-2-3-15(12(7-16)8-19-10-17-9-18-19)11-4-13(20(22)23)6-14(5-11)21(24)25/h4-6,9-10,12,15H,2-3,8H2,1H3


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