[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)phenyl]methanone

Systemtic Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)phenyl]methanone Openeye Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(3-isopropoxypropoxy)-5-methyl-2-nitro-phenyl]methanone CAS Name: [2-(hydroxymethyl)-1-pyrrolidinyl]-[5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)phenyl]methanone IUPAC Name: [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)phenyl]methanone Traditional Name: [4-(3-isopropoxypropoxy)-5-methyl-2-nitro-phenyl]-(2-methylolpyrrolidino)methanone Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OCCCOC(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OCCCOC(C)C

InChI

InChI=1S/C19H28N2O6/c1-13(2)26-8-5-9-27-18-11-17(21(24)25)16(10-14(18)3)19(23)20-7-4-6-15(20)12-22/h10-11,13,15,22H,4-9,12H2,1-3H3