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

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitro-benzonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O4/c17-8-11-7-12(19(20)21)5-6-14(11)18-9-13-10-22-15-3-1-2-4-16(15)23-13/h1-7,13,18H,9-10H2/t13-/m1/s1