[2-(butylamino)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-2-3-10-18-16(20)11-24-17(21)15-9-8-14(25-15)12-4-6-13(7-5-12)19(22)23/h4-9H,2-3,10-11H2,1H3,(H,18,20)