4-[(4-cyanophenyl)-[2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-3-oxidanylidene-7H-isoindol-5-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[(4-cyanophenyl)-[2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-3-oxidanylidene-7H-isoindol-5-yl]amino]benzenecarbonitrile Openeye Name: 4-(4-cyano-N-[2-(1-oxidopyridin-1-ium-3-carbonyl)-3-oxo-7H-isoindol-5-yl]anilino)benzonitrile CAS Name: 4-(4-cyano-N-[2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-oxo-7H-isoindol-5-yl]anilino)benzonitrile IUPAC Name: 4-(4-cyano-N-[2-(1-oxidopyridin-1-ium-3-carbonyl)-3-oxo-7H-isoindol-5-yl]anilino)benzonitrile Traditional Name: 4-(4-cyano-N-[3-keto-2-(1-oxidopyridin-1-ium-3-carbonyl)-7H-isoindol-5-yl]anilino)benzonitrile Formula: C28H17N5O3 MolecularWeight: 471.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C2C1=CN(C2=O)C(=O)C3=C[N+](=CC=C3)[O-])N(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C=C(C=C2C1=CN(C2=O)C(=O)C3=C[N+](=CC=C3)[O-])N(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H17N5O3/c29-15-19-3-8-23(9-4-19)33(24-10-5-20(16-30)6-11-24)25-12-7-21-18-32(28(35)26(21)14-25)27(34)22-2-1-13-31(36)17-22/h1-6,8-14,17-18H,7H2