4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-benzonitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzonitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzonitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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