(4-nitrophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4/c1-4-17-11(2)9-15(12(17)3)16(19)22-10-13-5-7-14(8-6-13)18(20)21/h5-9H,4,10H2,1-3H3