N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-methoxy-5-(5-methylol-2-furyl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H23N3O6/c1-31-22-8-4-15(21-9-6-17(14-27)32-21)12-19(22)24-23(28)18-13-16(26(29)30)5-7-20(18)25-10-2-3-11-25/h4-9,12-13,27H,2-3,10-11,14H2,1H3,(H,24,28)