(2,3,6-trimethylphenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=CN2C)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N2O4/c1-9-5-6-10(2)14(11(9)3)21-15(18)13-7-12(17(19)20)8-16(13)4/h5-8H,1-4H3