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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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