methyl 6-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]hexanoate CAS Name: 6-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]hexanoate Traditional Name: 6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]hexanoic acid methyl ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC=C(N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-20-11(16)5-3-2-4-8-13-12(17)9-6-7-10(14-9)15(18)19/h6-7,14H,2-5,8H2,1H3,(H,13,17)