2-[2-[4-[(4-nitrophenyl)methoxy]phenyl]-3-sulfanyl-pyrrolidin-1-yl]ethanal

Systemtic Name: 2-[2-[4-[(4-nitrophenyl)methoxy]phenyl]-3-sulfanyl-pyrrolidin-1-yl]ethanal Openeye Name: 2-[2-[4-[(4-nitrophenyl)methoxy]phenyl]-3-sulfanyl-pyrrolidin-1-yl]acetaldehyde CAS Name: 2-[3-mercapto-2-[4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinyl]acetaldehyde IUPAC Name: 2-[2-[4-[(4-nitrophenyl)methoxy]phenyl]-3-sulfanylpyrrolidin-1-yl]acetaldehyde Traditional Name: 2-[3-mercapto-2-[4-(4-nitrobenzyl)oxyphenyl]pyrrolidino]acetaldehyde Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1S)C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CC=O

Isomeric SMILES

C1CN(C(C1S)C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CC=O

InChI

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