2-[2-(hexylcarbamoyl)-6-nitro-phenyl]furan-3-carboxylic acid

Systemtic Name: 2-[2-(hexylcarbamoyl)-6-nitro-phenyl]furan-3-carboxylic acid Openeye Name: 2-[2-(hexylcarbamoyl)-6-nitro-phenyl]furan-3-carboxylic acid CAS Name: 2-[2-[(hexylamino)-oxomethyl]-6-nitrophenyl]-3-furancarboxylic acid IUPAC Name: 2-[2-(hexylcarbamoyl)-6-nitrophenyl]furan-3-carboxylic acid Traditional Name: 2-[2-(hexylcarbamoyl)-6-nitro-phenyl]-3-furoic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=C(C=CO2)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=C(C=CO2)C(=O)O

InChI

InChI=1S/C18H20N2O6/c1-2-3-4-5-10-19-17(21)12-7-6-8-14(20(24)25)15(12)16-13(18(22)23)9-11-26-16/h6-9,11H,2-5,10H2,1H3,(H,19,21)(H,22,23)