[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H11ClN2O6 MolecularWeight: 362.72134

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O6/c1-2-7-18-15(20)9-24-16(21)14-6-5-13(25-14)11-4-3-10(19(22)23)8-12(11)17/h1,3-6,8H,7,9H2,(H,18,20)