[4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H17FN2O3 MolecularWeight: 436.433883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H17FN2O3/c28-21-10-12-22(13-11-21)30-26(31)20(17-29)16-18-8-14-23(15-9-18)33-27(32)25-7-3-5-19-4-1-2-6-24(19)25/h1-16H,(H,30,31)/b20-16+