ethyl 5-[5-(3-azanyl-2,4,4-tricyano-buta-1,3-dienyl)furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[5-(3-azanyl-2,4,4-tricyano-buta-1,3-dienyl)furan-2-yl]-2-chloranyl-benzoate Openeye Name: ethyl 5-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)-2-furanyl]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[5-(3-amino-2,4,4-tricyanobuta-1,3-dienyl)furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-(3-amino-2,4,4-tricyano-buta-1,3-dienyl)-2-furyl]-2-chloro-benzoic acid ethyl ester Formula: C20H13ClN4O3 MolecularWeight: 392.79522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N)Cl

InChI

InChI=1S/C20H13ClN4O3/c1-2-27-20(26)16-8-12(3-5-17(16)21)18-6-4-15(28-18)7-13(9-22)19(25)14(10-23)11-24/h3-8H,2,25H2,1H3