[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] (3R)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O7/c1-2-31-16-6-4-15(5-7-16)24-11-13(9-20(24)27)21(28)32-12-19(26)23-17-10-14(22)3-8-18(17)25(29)30/h3-8,10,13H,2,9,11-12H2,1H3,(H,23,26)/t13-/m1/s1