[2-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate

Systemtic Name: [2-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [2-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3C=C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C20H14N2O4S/c21-13-17(20(22)23)11-16-7-3-4-8-19(16)26-27(24,25)18-10-9-14-5-1-2-6-15(14)12-18/h1-12H,(H2,22,23)/b17-11+