[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C26H18ClN3O4 MolecularWeight: 471.89182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

InChI

InChI=1S/C26H18ClN3O4/c27-20-12-11-18(13-21(20)29)26(32)33-15-22(31)30-25-19(14-28)23(16-7-3-1-4-8-16)24(34-25)17-9-5-2-6-10-17/h1-13H,15,29H2,(H,30,31)