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

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-5-nitro-benzonitrile Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H17N3O4/c20-12-14-10-15(22(23)24)4-5-17(14)21-7-1-2-16(21)13-3-6-18-19(11-13)26-9-8-25-18/h3-6,10-11,16H,1-2,7-9H2