methyl 3-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]propanoate CAS Name: 3-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]propanoate Traditional Name: 3-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]propionic acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

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