2-(2-chloroethyl)-3-nitro-N-pentan-3-yl-pyridin-4-amine

Systemtic Name: 2-(2-chloroethyl)-3-nitro-N-pentan-3-yl-pyridin-4-amine Openeye Name: 2-(2-chloroethyl)-N-(1-ethylpropyl)-3-nitro-pyridin-4-amine CAS Name: 2-(2-chloroethyl)-3-nitro-N-pentan-3-yl-4-pyridinamine IUPAC Name: 2-(2-chloroethyl)-3-nitro-N-pentan-3-ylpyridin-4-amine Traditional Name: [2-(2-chloroethyl)-3-nitro-4-pyridyl]-(1-ethylpropyl)amine Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=NC=C1)CCCl)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C(=NC=C1)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C12H18ClN3O2/c1-3-9(4-2)15-11-6-8-14-10(5-7-13)12(11)16(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,14,15)