2-[(6-nitro-1,3-benzodioxol-5-yl)-(1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)methyl]propanedinitrile

Systemtic Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)-(1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)methyl]propanedinitrile Openeye Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)-(1-oxotetralin-2-yl)methyl]propanedinitrile CAS Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]propanedinitrile IUPAC Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]propanedinitrile Traditional Name: 2-[(1-ketotetralin-2-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]malononitrile Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)C1C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(C#N)C#N

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)C1C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(C#N)C#N

InChI

InChI=1S/C21H15N3O5/c22-9-13(10-23)20(15-6-5-12-3-1-2-4-14(12)21(15)25)16-7-18-19(29-11-28-18)8-17(16)24(26)27/h1-4,7-8,13,15,20H,5-6,11H2