[2-oxidanylidene-2-(pentylamino)ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-3-4-5-9-16-14(18)10-22-15(19)12-7-6-8-13(11(12)2)17(20)21/h6-8H,3-5,9-10H2,1-2H3,(H,16,18)