[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5/c23-17-10-11-20(25(28)29)18(13-17)22(27)30-14-21(26)24-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,26)