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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c1-19(14-7-6-12(9-18)8-15(14)20(21)22)10-13-11-23-16-4-2-3-5-17(16)24-13/h2-8,13H,10-11H2,1H3/t13-/m0/s1