[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C18H13ClN2O6/c1-10(17(22)20-13-4-2-3-5-14(13)21(24)25)26-18(23)16-9-11-8-12(19)6-7-15(11)27-16/h2-10H,1H3,(H,20,22)/t10-/m0/s1