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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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