(E)-3-ethoxy-2-(2-methyl-6-nitro-3-oxidanylidene-1H-isoindol-1-yl)-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-(2-methyl-6-nitro-3-oxidanylidene-1H-isoindol-1-yl)-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-6-nitro-3-oxo-isoindolin-1-yl)prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-6-nitro-3-oxo-1H-isoindol-1-yl)-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-6-nitro-3-oxo-1H-isoindol-1-yl)prop-2-enenitrile Traditional Name: (E)-3-ethoxy-3-hydroxy-2-(3-keto-2-methyl-6-nitro-isoindolin-1-yl)acrylonitrile Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C)/O

InChI

InChI=1S/C14H13N3O5/c1-3-22-14(19)11(7-15)12-10-6-8(17(20)21)4-5-9(10)13(18)16(12)2/h4-6,12,19H,3H2,1-2H3/b14-11-