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

Systemtic Name: 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-methyl-4-(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=CC(=C(C=C2)C3=CC=C(O3)CO)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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