[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3-chloranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H15ClN2O4/c23-18-4-1-3-16(12-18)22(27)29-19-8-6-15(7-9-19)11-17(13-24)21(26)25-14-20-5-2-10-28-20/h1-12H,14H2,(H,25,26)/b17-11+