1-cyanoethyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 1-cyanoethyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 1-cyanoethyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid 1-cyanoethyl ester Formula: C17H11ClN2O5 MolecularWeight: 358.73264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN2O5/c1-10(9-19)25-17(22)13-5-3-2-4-12(13)16(21)11-6-7-14(18)15(8-11)20(23)24/h2-8,10H,1H3