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

Systemtic Name: methyl 6-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]hexanoate CAS Name: 6-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]hexanoate Traditional Name: 6-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]hexanoic acid methyl ester Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C13H19N3O5/c1-15-10(7-8-11(15)16(19)20)13(18)14-9-5-3-4-6-12(17)21-2/h7-8H,3-6,9H2,1-2H3,(H,14,18)