2-chloranyl-4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C25H15ClN2O4 MolecularWeight: 442.8506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C#N

InChI

InChI=1S/C25H15ClN2O4/c26-22-13-17(6-9-21(22)25(30)31)23-10-8-20(32-23)12-18(14-27)24(29)28-19-7-5-15-3-1-2-4-16(15)11-19/h1-13H,(H,28,29)(H,30,31)/b18-12+