2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]aniline IUPAC Name: 2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylaniline Traditional Name: [2-[[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]phenyl]amine Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C[N+](=O)[O-])SC3=CC=CC=C3N

InChI

InChI=1S/C15H14N2O4S/c16-11-3-1-2-4-14(11)22-15(8-17(18)19)10-5-6-12-13(7-10)21-9-20-12/h1-7,15H,8-9,16H2/t15-/m1/s1