pyridin-3-ylmethyl 4-[4-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate

Systemtic Name: pyridin-3-ylmethyl 4-[4-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate Openeye Name: 3-pyridylmethyl 4-[4-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1-piperazinecarboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]phenyl]piperazine-1-carboxylic acid 3-pyridylmethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C=CC(=O)NO)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)/C=C/C(=O)NO)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C20H22N4O4/c25-19(22-27)8-5-16-3-6-18(7-4-16)23-10-12-24(13-11-23)20(26)28-15-17-2-1-9-21-14-17/h1-9,14,27H,10-13,15H2,(H,22,25)/b8-5+