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

Systemtic Name: methyl 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]butanoate CAS Name: 4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]butanoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-benzoyl)amino]butyric acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-24-15(20)5-4-8-17-16(21)12-6-7-13(14(11-12)19(22)23)18-9-2-3-10-18/h6-7,11H,2-5,8-10H2,1H3,(H,17,21)