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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(3-methylphenoxy)propanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] (2S)-2-(3-methylphenoxy)propanoate CAS Name: (2S)-2-(3-methylphenoxy)propanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate Traditional Name: (2S)-2-(3-methylphenoxy)propionic 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)OC(C)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-11-4-3-5-14(8-11)27-12(2)18(23)26-10-17(22)20-13-6-7-15(19)16(9-13)21(24)25/h3-9,12H,10H2,1-2H3,(H,20,22)/t12-/m0/s1