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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(butylamino)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H21N3O3/c1-3-4-9-20-15-8-6-5-7-13(15)17(22)23-11-16(21)14(10-18)12(2)19/h5-8,20H,3-4,9,11,19H2,1-2H3/b14-12+