2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4-isoquinolylidene]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(1,3-diketo-2-piperonyl-4-isoquinolylidene)methylamino]-5-nitro-benzonitrile Formula: C25H16N4O6 MolecularWeight: 468.41774

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CNC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CNC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C3=O

InChI

InChI=1S/C25H16N4O6/c26-11-16-10-17(29(32)33)6-7-21(16)27-12-20-18-3-1-2-4-19(18)24(30)28(25(20)31)13-15-5-8-22-23(9-15)35-14-34-22/h1-10,12,27H,13-14H2