6-nitro-N-(1-pyridin-4-ylethyl)-1,3-benzodioxol-5-amine

Systemtic Name: 6-nitro-N-(1-pyridin-4-ylethyl)-1,3-benzodioxol-5-amine Openeye Name: 6-nitro-N-[1-(4-pyridyl)ethyl]-1,3-benzodioxol-5-amine CAS Name: 6-nitro-N-(1-pyridin-4-ylethyl)-1,3-benzodioxol-5-amine IUPAC Name: 6-nitro-N-(1-pyridin-4-ylethyl)-1,3-benzodioxol-5-amine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)-[1-(4-pyridyl)ethyl]amine Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C1=CC=NC=C1)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H13N3O4/c1-9(10-2-4-15-5-3-10)16-11-6-13-14(21-8-20-13)7-12(11)17(18)19/h2-7,9,16H,8H2,1H3