(2Z)-3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-piperidin-2-ylidene-propanethioic S-acid

Systemtic Name: (2Z)-3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-piperidin-2-ylidene-propanethioic S-acid Openeye Name: (2Z)-3-[(4-nitrophenyl)methoxy]-3-oxo-2-(2-piperidylidene)propanethioic S-acid CAS Name: (2Z)-3-[(4-nitrophenyl)methoxy]-3-oxo-2-(2-piperidinylidene)propanethioic S-acid IUPAC Name: (2Z)-3-[(4-nitrophenyl)methoxy]-3-oxo-2-piperidin-2-ylidenepropanethioic S-acid Traditional Name: (2Z)-3-keto-3-(4-nitrobenzyl)oxy-2-(2-piperidylidene)thiopropionic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)S)C1

Isomeric SMILES

C1CCN/C(=C(/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])\C(=O)S)/C1

InChI

InChI=1S/C15H16N2O5S/c18-14(13(15(19)23)12-3-1-2-8-16-12)22-9-10-4-6-11(7-5-10)17(20)21/h4-7,16H,1-3,8-9H2,(H,19,23)/b13-12-