(2,5-dimethylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-10-4-5-11(2)12(6-10)9-21-15(18)14-7-13(17(19)20)8-16(14)3/h4-8H,9H2,1-3H3