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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=CC=C(O3)CO)C)[N+](=O)[O-]

InChI

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