6-nitro-N-(1-thiophen-2-ylethyl)-1,3-benzodioxol-5-amine

Systemtic Name: 6-nitro-N-(1-thiophen-2-ylethyl)-1,3-benzodioxol-5-amine Openeye Name: 6-nitro-N-[1-(2-thienyl)ethyl]-1,3-benzodioxol-5-amine CAS Name: 6-nitro-N-(1-thiophen-2-ylethyl)-1,3-benzodioxol-5-amine IUPAC Name: 6-nitro-N-(1-thiophen-2-ylethyl)-1,3-benzodioxol-5-amine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)-[1-(2-thienyl)ethyl]amine Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C1=CC=CS1)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H12N2O4S/c1-8(13-3-2-4-20-13)14-9-5-11-12(19-7-18-11)6-10(9)15(16)17/h2-6,8,14H,7H2,1H3