2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-5-nitro-nicotinonitrile Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC2=NC=C(C=C2C#N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC2=NC=C(C=C2C#N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N4O4/c21-11-14-9-16(24(25)26)12-22-19(14)23-13-20(5-1-2-6-20)15-3-4-17-18(10-15)28-8-7-27-17/h3-4,9-10,12H,1-2,5-8,13H2,(H,22,23)