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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-12-9-14(4-6-16(12)18-8-5-15(11-23)28-18)21-20(24)13-3-7-19(27-2)17(10-13)22(25)26/h3-10,23H,11H2,1-2H3,(H,21,24)