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

Systemtic Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-methoxy-5-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(O3)CO)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-3-29-20-8-5-14(11-17(20)23(26)27)21(25)22-16-10-13(4-7-19(16)28-2)18-9-6-15(12-24)30-18/h4-11,24H,3,12H2,1-2H3,(H,22,25)