methyl 6-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]hexanoate CAS Name: 6-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]hexanoate Traditional Name: 6-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]hexanoic acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-25-16(21)5-3-2-4-10-18-17(22)12-6-9-14(19-13-7-8-13)15(11-12)20(23)24/h6,9,11,13,19H,2-5,7-8,10H2,1H3,(H,18,22)