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

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrobenzonitrile IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-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)C#N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

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

InChI

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