methyl 7-[[2-(methylamino)-5-nitro-phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[2-(methylamino)-5-nitro-phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[2-(methylamino)-5-nitro-benzoyl]amino]heptanoate CAS Name: 7-[[[2-(methylamino)-5-nitrophenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(methylamino)-5-nitrobenzoyl]amino]heptanoate Traditional Name: 7-[[2-(methylamino)-5-nitro-benzoyl]amino]enanthic acid methyl ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C16H23N3O5/c1-17-14-9-8-12(19(22)23)11-13(14)16(21)18-10-6-4-3-5-7-15(20)24-2/h8-9,11,17H,3-7,10H2,1-2H3,(H,18,21)