1-[2-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-nitrophenyl)-2-propan-2-yl-heptan-1-one

Systemtic Name: 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-nitrophenyl)-2-propan-2-yl-heptan-1-one Openeye Name: 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-isopropyl-7-(4-nitrophenyl)heptan-1-one CAS Name: 1-[2-(hydroxymethyl)-1-pyrrolidinyl]-7-(4-nitrophenyl)-2-propan-2-yl-1-heptanone IUPAC Name: 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-nitrophenyl)-2-propan-2-ylheptan-1-one Traditional Name: 2-isopropyl-1-(2-methylolpyrrolidino)-7-(4-nitrophenyl)heptan-1-one Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO

Isomeric SMILES

CC(C)C(CCCCCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO

InChI

InChI=1S/C21H32N2O4/c1-16(2)20(21(25)22-14-6-8-19(22)15-24)9-5-3-4-7-17-10-12-18(13-11-17)23(26)27/h10-13,16,19-20,24H,3-9,14-15H2,1-2H3