ethyl 4-ethyl-1-(2-nitrophenyl)carbonyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethyl-1-(2-nitrophenyl)carbonyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-ethyl-1-(2-nitrobenzoyl)pyrrole-2-carboxylate CAS Name: 4-ethyl-1-[(2-nitrophenyl)-oxomethyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-1-(2-nitrobenzoyl)pyrrole-2-carboxylate Traditional Name: 4-ethyl-1-(2-nitrobenzoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=C1)C(=O)OCC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=CN(C(=C1)C(=O)OCC)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c1-3-11-9-14(16(20)23-4-2)17(10-11)15(19)12-7-5-6-8-13(12)18(21)22/h5-10H,3-4H2,1-2H3