[2-oxidanylidene-2-(propylamino)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5/c1-2-5-14-11(16)7-20-12(17)9-6-8(15(18)19)3-4-10(9)13/h3-4,6H,2,5,7H2,1H3,(H,14,16)