tert-butyl N-[2-[(E)-5-(oxidanylamino)-5-oxidanylidene-pent-3-en-1-yn-3-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[(E)-5-(oxidanylamino)-5-oxidanylidene-pent-3-en-1-yn-3-yl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[(E)-1-ethynyl-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]carbamate CAS Name: N-[2-[(E)-5-(hydroxyamino)-5-oxopent-3-en-1-yn-3-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(E)-5-(hydroxyamino)-5-oxopent-3-en-1-yn-3-yl]phenyl]carbamate Traditional Name: N-[2-[(E)-1-ethynyl-3-(hydroxyamino)-3-keto-prop-1-enyl]phenyl]carbamic acid tert-butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=CC(=O)NO)C#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1/C(=C/C(=O)NO)/C#C

InChI

InChI=1S/C16H18N2O4/c1-5-11(10-14(19)18-21)12-8-6-7-9-13(12)17-15(20)22-16(2,3)4/h1,6-10,21H,2-4H3,(H,17,20)(H,18,19)/b11-10+