1-[(6-chloranylpyridin-3-yl)methyl]-3-nitro-5-propyl-1,3,5-triazinane

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-3-nitro-5-propyl-1,3,5-triazinane Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-3-nitro-5-propyl-1,3,5-triazinane CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-3-nitro-5-propyl-1,3,5-triazinane IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-3-nitro-5-propyl-1,3,5-triazinane Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-3-nitro-5-propyl-1,3,5-triazinane Formula: C12H18ClN5O2 MolecularWeight: 299.75662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CN(CN(C1)[N+](=O)[O-])CC2=CN=C(C=C2)Cl

Isomeric SMILES

CCCN1CN(CN(C1)[N+](=O)[O-])CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C12H18ClN5O2/c1-2-5-15-8-16(10-17(9-15)18(19)20)7-11-3-4-12(13)14-6-11/h3-4,6H,2,5,7-10H2,1H3