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

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzonitrile CAS Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-benzonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O4/c22-13-15-3-5-17(18(11-15)24(25)26)23-14-21(7-1-2-8-21)16-4-6-19-20(12-16)28-10-9-27-19/h3-6,11-12,23H,1-2,7-10,14H2