[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C2CC2

InChI

InChI=1S/C17H19N3O4/c1-11(21)19-14-7-3-12(4-8-14)16(23)24-9-15(22)20-17(2,10-18)13-5-6-13/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,19,21)(H,20,22)