4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonic acid Openeye Name: 4-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzenesulfonic acid CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzenesulfonic acid IUPAC Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonic acid Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]besylic acid Formula: C14H10N2O5S MolecularWeight: 318.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C14H10N2O5S/c15-8-10(14(16)17)7-11-3-6-13(21-11)9-1-4-12(5-2-9)22(18,19)20/h1-7H,(H2,16,17)(H,18,19,20)/b10-7+