methyl 6-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]hexanoate Openeye Name: methyl 6-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]hexanoate CAS Name: 6-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]hexanoate Traditional Name: 6-[(3-nitro-4-pyrrolidino-benzoyl)amino]hexanoic acid methyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-26-17(22)7-3-2-4-10-19-18(23)14-8-9-15(16(13-14)21(24)25)20-11-5-6-12-20/h8-9,13H,2-7,10-12H2,1H3,(H,19,23)