2-[2-[(3-nitrophenyl)methoxy]phenyl]-2-(3-sulfanylpyrrolidin-1-yl)ethanal

Systemtic Name: 2-[2-[(3-nitrophenyl)methoxy]phenyl]-2-(3-sulfanylpyrrolidin-1-yl)ethanal Openeye Name: 2-[2-[(3-nitrophenyl)methoxy]phenyl]-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde CAS Name: 2-(3-mercapto-1-pyrrolidinyl)-2-[2-[(3-nitrophenyl)methoxy]phenyl]acetaldehyde IUPAC Name: 2-[2-[(3-nitrophenyl)methoxy]phenyl]-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde Traditional Name: 2-(3-mercaptopyrrolidino)-2-[2-(3-nitrobenzyl)oxyphenyl]acetaldehyde Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(C=O)C2=CC=CC=C2OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1S)C(C=O)C2=CC=CC=C2OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c22-12-18(20-9-8-16(26)11-20)17-6-1-2-7-19(17)25-13-14-4-3-5-15(10-14)21(23)24/h1-7,10,12,16,18,26H,8-9,11,13H2