[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-11-5-12(2)7-14(6-11)26-10-18(23)27-9-17(22)20-13-3-4-15(19)16(8-13)21(24)25/h3-8H,9-10H2,1-2H3,(H,20,22)