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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4-dimethylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C15H16N2O3/c1-9-4-5-12(10(2)6-9)15(19)20-8-14(18)13(7-16)11(3)17/h4-6H,8,17H2,1-3H3/b13-11+