[(E)-5-(methylamino)-1-oxidanylidene-pent-2-en-3-yl] benzoate

Systemtic Name: [(E)-5-(methylamino)-1-oxidanylidene-pent-2-en-3-yl] benzoate Openeye Name: [(E)-1-[2-(methylamino)ethyl]-3-oxo-prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-5-(methylamino)-1-oxopent-2-en-3-yl] ester IUPAC Name: [(E)-5-(methylamino)-1-oxopent-2-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-3-keto-1-[2-(methylamino)ethyl]prop-1-enyl] ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(=CC=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CNCC/C(=C\C=O)/OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H15NO3/c1-14-9-7-12(8-10-15)17-13(16)11-5-3-2-4-6-11/h2-6,8,10,14H,7,9H2,1H3/b12-8+