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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C4=CC=C(O4)CO

InChI

InChI=1S/C23H23N3O5/c1-15-12-16(4-7-19(15)22-9-6-18(14-27)31-22)24-23(28)20-13-17(26(29)30)5-8-21(20)25-10-2-3-11-25/h4-9,12-13,27H,2-3,10-11,14H2,1H3,(H,24,28)