1-cyanoethyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 1-cyanoethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-cyanoethyl ester Formula: C10H7ClN2O4 MolecularWeight: 254.62658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN2O4/c1-6(5-12)17-10(14)8-3-2-7(11)4-9(8)13(15)16/h2-4,6H,1H3