4-(bromomethyl)-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-N-propyl-aniline

Systemtic Name: 4-(bromomethyl)-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-N-propyl-aniline Openeye Name: 4-(bromomethyl)-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-N-propyl-aniline CAS Name: 4-(bromomethyl)-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-N-propylaniline IUPAC Name: 4-(bromomethyl)-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-N-propylaniline Traditional Name: [4-(bromomethyl)-2,6-dinitro-phenyl]-(1,3-dioxolan-2-ylmethyl)-propyl-amine Formula: C14H18BrN3O6 MolecularWeight: 404.21322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1OCCO1)C2=C(C=C(C=C2[N+](=O)[O-])CBr)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1OCCO1)C2=C(C=C(C=C2[N+](=O)[O-])CBr)[N+](=O)[O-]

InChI

InChI=1S/C14H18BrN3O6/c1-2-3-16(9-13-23-4-5-24-13)14-11(17(19)20)6-10(8-15)7-12(14)18(21)22/h6-7,13H,2-5,8-9H2,1H3