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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-N-[3-methyl-4-(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=CC(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=C(O3)CO

Isomeric SMILES

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

InChI

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