2-(2-methylpropylamino)ethyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 2-(2-methylpropylamino)ethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 2-(isobutylamino)ethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 2-(2-methylpropylamino)ethyl ester IUPAC Name: 2-(2-methylpropylamino)ethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 2-(isobutylamino)ethyl ester Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4/c1-9(2)8-15-5-6-20-13(17)11-4-3-10(16(18)19)7-12(11)14/h3-4,7,9,15H,5-6,8H2,1-2H3