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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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