[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-methylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C14H14N2O3/c1-9-5-3-4-6-11(9)14(18)19-8-13(17)12(7-15)10(2)16/h3-6H,8,16H2,1-2H3/b12-10+