4-ethoxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-methyl-5-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-3-28-20-8-6-15(11-18(20)23(26)27)21(25)22-17-10-14(5-4-13(17)2)19-9-7-16(12-24)29-19/h4-11,24H,3,12H2,1-2H3,(H,22,25)