(4-chloranyl-2-methyl-phenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4/c1-8-5-9(14)3-4-12(8)20-13(17)11-6-10(16(18)19)7-15(11)2/h3-7H,1-2H3