2-chloroethyl 3,5-dinitrobenzoate

Systemtic Name: 2-chloroethyl 3,5-dinitrobenzoate Openeye Name: 2-chloroethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-chloroethyl ester Formula: C9H7ClN2O6 MolecularWeight: 274.61468

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCl

InChI

InChI=1S/C9H7ClN2O6/c10-1-2-18-9(13)6-3-7(11(14)15)5-8(4-6)12(16)17/h3-5H,1-2H2