[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H15ClN2O3/c1-15(9-17,11-5-6-11)18-13(19)8-21-14(20)10-3-2-4-12(16)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,18,19)