3,4,5-trimethoxy-2-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N4O6/c1-28-15-10-14(17(24(26)27)19(30-3)18(15)29-2)20(25)22-12-13-6-7-16(21-11-13)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,22,25)