[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxybenzoate

Systemtic Name: [(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxybenzoate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H17ClN2O6/c1-14(21(26)24-20-11-10-16(25(28)29)13-19(20)23)30-22(27)15-6-5-9-18(12-15)31-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,26)/t14-/m0/s1