2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-cyano-7-ethoxy-5-methoxy-7-oxidanylidene-hept-5-enoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-cyano-7-ethoxy-5-methoxy-7-oxidanylidene-hept-5-enoic acid Openeye Name: 6-cyano-2-(1,3-dioxoisoindolin-2-yl)-7-ethoxy-5-methoxy-7-oxo-hept-5-enoic acid CAS Name: 6-cyano-2-(1,3-dioxo-2-isoindolyl)-7-ethoxy-5-methoxy-7-oxo-5-heptenoic acid IUPAC Name: 6-cyano-2-(1,3-dioxoisoindol-2-yl)-7-ethoxy-5-methoxy-7-oxohept-5-enoic acid Traditional Name: 6-cyano-7-ethoxy-7-keto-5-methoxy-2-phthalimido-hept-5-enoic acid Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(=C(CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O)OC)C#N

InChI

InChI=1S/C19H18N2O7/c1-3-28-19(26)13(10-20)15(27-2)9-8-14(18(24)25)21-16(22)11-6-4-5-7-12(11)17(21)23/h4-7,14H,3,8-9H2,1-2H3,(H,24,25)