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

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-methyl-5-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-12-3-5-14(19-8-7-16(11-23)27-19)9-17(12)21-20(24)15-6-4-13(2)18(10-15)22(25)26/h3-10,23H,11H2,1-2H3,(H,21,24)