(Z)-3-(2-nitrophenyl)-2-[(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]prop-2-enenitrile

Systemtic Name: (Z)-3-(2-nitrophenyl)-2-[(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)methyl]prop-2-enenitrile Openeye Name: (Z)-2-[(1-hydroxy-3-oxo-isoindolin-2-yl)methyl]-3-(2-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-2-[(1-hydroxy-3-keto-isoindolin-2-yl)methyl]-3-(2-nitrophenyl)acrylonitrile Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CN2C(C3=CC=CC=C3C2=O)O)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(/CN2C(C3=CC=CC=C3C2=O)O)\C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4/c19-10-12(9-13-5-1-4-8-16(13)21(24)25)11-20-17(22)14-6-2-3-7-15(14)18(20)23/h1-9,17,22H,11H2/b12-9+