(2-oxidanylideneazepan-3-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2CCCCNC2=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2CCCCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-14-7-8(15(18)19)6-9(14)12(17)20-10-4-2-3-5-13-11(10)16/h6-7,10H,2-5H2,1H3,(H,13,16)