[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O6/c20-15-10-9-13(11-16(15)22(26)27)17(23)12-28-19(25)8-4-7-18(24)21-14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,21,24)