7-(3-ethanoyl-5-methyl-2-nitro-phenoxy)-N-pyrrolidin-1-yl-heptanamide

Systemtic Name: 7-(3-ethanoyl-5-methyl-2-nitro-phenoxy)-N-pyrrolidin-1-yl-heptanamide Openeye Name: 7-(3-acetyl-5-methyl-2-nitro-phenoxy)-N-pyrrolidin-1-yl-heptanamide CAS Name: 7-(3-acetyl-5-methyl-2-nitrophenoxy)-N-(1-pyrrolidinyl)heptanamide IUPAC Name: 7-(3-acetyl-5-methyl-2-nitrophenoxy)-N-pyrrolidin-1-ylheptanamide Traditional Name: 7-(3-acetyl-5-methyl-2-nitro-phenoxy)-N-pyrrolidino-enanthamide Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C)[N+](=O)[O-])OCCCCCCC(=O)NN2CCCC2

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C)[N+](=O)[O-])OCCCCCCC(=O)NN2CCCC2

InChI

InChI=1S/C20H29N3O5/c1-15-13-17(16(2)24)20(23(26)27)18(14-15)28-12-8-4-3-5-9-19(25)21-22-10-6-7-11-22/h13-14H,3-12H2,1-2H3,(H,21,25)