methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6/c1-11-13-5-3-4-6-15(13)22-16(18(11)20(25)28-2)10-29-19(24)12-7-8-14(21)17(9-12)23(26)27/h3-9H,10H2,1-2H3