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

Systemtic Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methoxy-4-propoxy-benzyl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O5/c1-3-12-30-20-9-6-16(13-21(20)29-2)15-23-22(26)17-7-8-18(19(14-17)25(27)28)24-10-4-5-11-24/h6-9,13-14H,3-5,10-12,15H2,1-2H3,(H,23,26)