5-butan-2-yl-2-[dioxidanyl-[(E)-(phenylmethylidene)amino]methyl]-3-isocyano-benzenecarbonitrile

Systemtic Name: 5-butan-2-yl-2-[dioxidanyl-[(E)-(phenylmethylidene)amino]methyl]-3-isocyano-benzenecarbonitrile Openeye Name: 2-[[(E)-benzylideneamino]-hydroperoxy-methyl]-3-isocyano-5-sec-butyl-benzonitrile CAS Name: 5-butan-2-yl-2-[hydroperoxy-[(E)-(phenylmethylene)amino]methyl]-3-isocyanobenzonitrile IUPAC Name: 2-[[(E)-benzylideneamino]-hydroperoxymethyl]-5-butan-2-yl-3-isocyanobenzonitrile Traditional Name: 2-[[(E)-benzalamino]-hydroperoxy-methyl]-3-isocyano-5-sec-butyl-benzonitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)C#N)C(N=CC2=CC=CC=C2)OO)[N+]#[C-]

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)C#N)C(/N=C/C2=CC=CC=C2)OO)[N+]#[C-]

InChI

InChI=1S/C20H19N3O2/c1-4-14(2)16-10-17(12-21)19(18(11-16)22-3)20(25-24)23-13-15-8-6-5-7-9-15/h5-11,13-14,20,24H,4H2,1-2H3/b23-13+