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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-3-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]-3-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyphenyl]-3-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-nitrobenzamide Traditional Name: N-[3-methoxy-4-(5-methylol-2-furyl)phenyl]-3-nitro-benzamide Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O6/c1-26-18-10-13(5-7-16(18)17-8-6-15(11-22)27-17)20-19(23)12-3-2-4-14(9-12)21(24)25/h2-10,22H,11H2,1H3,(H,20,23)