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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-5-nitro-benzonitrile CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-5-nitrobenzonitrile Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-5-nitro-benzonitrile Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H17N3O4/c1-2-20(16-5-4-15(21(22)23)10-14(16)11-19)12-13-3-6-17-18(9-13)25-8-7-24-17/h3-6,9-10H,2,7-8,12H2,1H3