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

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]-4-methoxy-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]-4-methoxyphenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-N-[4-methoxy-3-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=C(O3)CO

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=C(O3)CO

InChI

InChI=1S/C20H18N2O7/c1-27-17-7-4-13(10-15(17)18-8-5-14(11-23)29-18)21-20(24)12-3-6-19(28-2)16(9-12)22(25)26/h3-10,23H,11H2,1-2H3,(H,21,24)