2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-5-nitro-benzonitrile Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N3O4/c1-19(15-7-6-13(20(21)22)8-12(15)9-18)10-14-11-23-16-4-2-3-5-17(16)24-14/h2-8,14H,10-11H2,1H3/t14-/m0/s1