methyl 4-methyl-2-[(5-nitrothiophen-2-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(5-nitrothiophen-2-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(5-nitro-2-thiophenyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H14N2O6S/c1-10-11-5-3-4-6-12(11)19-13(16(10)18(22)25-2)9-26-17(21)14-7-8-15(27-14)20(23)24/h3-8H,9H2,1-2H3