N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]-4-methoxy-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]-4-methoxyphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-methoxy-3-(5-methylol-2-furyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(O4)CO

InChI

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