[2-oxidanylidene-2-(pentylamino)ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C15H20N2O6/c1-3-4-5-8-16-14(18)10-23-15(19)12-9-11(17(20)21)6-7-13(12)22-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,18)