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

Systemtic Name: 3-chloranyl-4-[5-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-3-chloro-benzoic acid CAS Name: 4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-3-chlorobenzoic acid IUPAC Name: 4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-3-chlorobenzoic acid Traditional Name: 4-[5-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-furyl]-3-chloro-benzoic acid Formula: C21H13ClN2O4 MolecularWeight: 392.79192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C(=O)O)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=C(C=C(C=C3)C(=O)O)Cl)/C#N

InChI

InChI=1S/C21H13ClN2O4/c22-18-11-13(21(26)27)6-8-17(18)19-9-7-16(28-19)10-14(12-23)20(25)24-15-4-2-1-3-5-15/h1-11H,(H,24,25)(H,26,27)/b14-10+