N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-nitro-pyridin-2-amine

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-nitro-pyridin-2-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-nitro-pyridin-2-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-nitro-2-pyridinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-nitropyridin-2-amine Traditional Name: homopiperonyl-(3-nitro-2-pyridyl)amine Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c18-17(19)11-2-1-6-15-14(11)16-7-5-10-3-4-12-13(8-10)21-9-20-12/h1-4,6,8H,5,7,9H2,(H,15,16)