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

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

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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