[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O6/c1-13-4-2-5-15(10-13)27-9-3-6-19(24)28-12-18(23)21-16-8-7-14(20)11-17(16)22(25)26/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,21,23)