2-chloranylprop-2-enyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 2-chloranylprop-2-enyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 2-chloroallyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 2-chloroallyl ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO)Cl

Isomeric SMILES

C=C(COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCO)Cl

InChI

InChI=1S/C12H13ClN2O5/c1-8(13)7-20-12(17)10-6-9(15(18)19)2-3-11(10)14-4-5-16/h2-3,6,14,16H,1,4-5,7H2