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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-9(10-2-4-12-13(6-10)21-8-20-12)16-14-5-3-11(7-15-14)17(18)19/h2-7,9H,8H2,1H3,(H,15,16)/t9-/m0/s1