2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-5-nitro-benzonitrile Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N3O4/c1-11(12-2-5-16-17(9-12)24-7-6-23-16)19-15-4-3-14(20(21)22)8-13(15)10-18/h2-5,8-9,11,19H,6-7H2,1H3/t11-/m1/s1