2-[[4-(2-methoxyazetidin-1-yl)naphthalen-1-yl]diazenyl]-5-nitro-benzene-1,3-dicarbonitrile

Systemtic Name: 2-[[4-(2-methoxyazetidin-1-yl)naphthalen-1-yl]diazenyl]-5-nitro-benzene-1,3-dicarbonitrile Openeye Name: 2-[[4-(2-methoxyazetidin-1-yl)-1-naphthyl]azo]-5-nitro-benzene-1,3-dicarbonitrile CAS Name: 2-[[4-(2-methoxy-1-azetidinyl)-1-naphthalenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile IUPAC Name: 2-[[4-(2-methoxyazetidin-1-yl)naphthalen-1-yl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile Traditional Name: 2-[[4-(2-methoxyazetidin-1-yl)-1-naphthyl]azo]-5-nitro-isophthalonitrile Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN1C2=CC=C(C3=CC=CC=C32)N=NC4=C(C=C(C=C4C#N)[N+](=O)[O-])C#N

Isomeric SMILES

COC1CCN1C2=CC=C(C3=CC=CC=C32)N=NC4=C(C=C(C=C4C#N)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N6O3/c1-31-21-8-9-27(21)20-7-6-19(17-4-2-3-5-18(17)20)25-26-22-14(12-23)10-16(28(29)30)11-15(22)13-24/h2-7,10-11,21H,8-9H2,1H3