2-[4-[(E)-2-cyano-3-ethoxy-3-oxidanidyl-prop-2-enoyl]phenyl]-3-oxidanidyl-1-oxidanylidene-indene-5-carboxylate

Systemtic Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxidanidyl-prop-2-enoyl]phenyl]-3-oxidanidyl-1-oxidanylidene-indene-5-carboxylate Openeye Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxido-prop-2-enoyl]phenyl]-3-oxido-1-oxo-indene-5-carboxylate CAS Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxido-1-oxoprop-2-enyl]phenyl]-3-oxido-1-oxo-5-indenecarboxylate IUPAC Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxidoprop-2-enoyl]phenyl]-3-oxido-1-oxoindene-5-carboxylate Traditional Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxido-acryloyl]phenyl]-1-keto-3-oxido-indene-5-carboxylate Formula: C22H12NO7-3 MolecularWeight: 402.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)C(=O)[O-])[O-])[O-]

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)C(=O)[O-])[O-])/[O-]

InChI

InChI=1S/C22H15NO7/c1-2-30-22(29)16(10-23)18(24)12-5-3-11(4-6-12)17-19(25)14-8-7-13(21(27)28)9-15(14)20(17)26/h3-9,26,29H,2H2,1H3,(H,27,28)/p-3/b22-16+