[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-11(16-7-12-5-3-4-6-15(12)27-16)19-17(22)10-26-18(23)14-8-13(21(24)25)9-20(14)2/h3-9,11H,10H2,1-2H3,(H,19,22)