methyl 4-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(methylamino)-3-nitro-benzoyl]amino]butanoate CAS Name: 4-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(methylamino)-3-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[4-(methylamino)-3-nitro-benzoyl]amino]butyric acid methyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-14-10-6-5-9(8-11(10)16(19)20)13(18)15-7-3-4-12(17)21-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,18)