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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

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