[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C13H13ClN2O6 MolecularWeight: 328.70512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN2O6/c1-8(17)2-5-13(19)22-7-12(18)15-10-6-9(14)3-4-11(10)16(20)21/h3-4,6H,2,5,7H2,1H3,(H,15,18)