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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-3-4-5-8-17-14(19)10-23-15(20)12-9-11(18(21)22)6-7-13(12)16-2/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,19)