1-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid

Systemtic Name: 1-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid Openeye Name: 1-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methyl-indoline-5-sulfonic acid CAS Name: 1-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid IUPAC Name: 1-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid Traditional Name: 1-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methyl-indoline-5-sulfonic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C=C(C#N)C(=O)OC)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CC1CC2=C(N1/C=C(\C#N)/C(=O)OC)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-9-5-10-6-12(22(18,19)20)3-4-13(10)16(9)8-11(7-15)14(17)21-2/h3-4,6,8-9H,5H2,1-2H3,(H,18,19,20)/b11-8+