[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-8-3-4-12(21-8)11(16)7-20-13(17)10-5-9(15(18)19)6-14(10)2/h3-6H,7H2,1-2H3