N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-methoxy-4-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-methoxy-4-(2-oxolanylmethoxy)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-methoxy-4-(tetrahydrofurfuryloxy)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OCC4CCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OCC4CCCO4

InChI

InChI=1S/C24H29N3O6/c1-31-23-13-17(6-9-22(23)33-16-19-5-4-12-32-19)15-25-24(28)18-7-8-20(21(14-18)27(29)30)26-10-2-3-11-26/h6-9,13-14,19H,2-5,10-12,15-16H2,1H3,(H,25,28)