[1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate Openeye Name: [2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 4-nitro-1H-pyrrole-2-carboxylate CAS Name: 4-nitro-1H-pyrrole-2-carboxylic acid [1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-ethylanilino)-1-oxopropan-2-yl] 4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 4-nitro-1H-pyrrole-2-carboxylic acid [2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-3-18(12-7-5-4-6-8-12)15(20)11(2)24-16(21)14-9-13(10-17-14)19(22)23/h4-11,17H,3H2,1-2H3